Viewing Compound With Structures

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Compound Report Overview

Compound Name: 1-[4-(1-ADAMANTANECARBOXAMIDO)BUTYL]-4-(2-METHOXYPHENYL)PIPERAZINE FUMARATE
Compound Identifier: 707403
Mol Structure 2D: 707403
Molecular Weight: 426
Formula: C26 H39 N3 O2
Development Status: Biochemical standard
SMILES: COc1ccccc1N2CCN(CCCCNC(=O)C3(CC4CC5CC(C4)C3)C5)CC2
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222012D 0 0.00000 0.00000 0^^ 34 38 0 0 0 999 V2000^ 2.3375 -3.8750 0.0000 C 0 0 2 0 0 0 0 0 0^ 5.1292 -1.3667 0.0000 N 0 0 3 0 0 0 0 0 0^ 2.3375 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.8542 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0792 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6750 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0292 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6917 -0.5792 0.0000 N 0 0 3 0 0 0 0 0 0^ 3.0792 -5.1167 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.6750 -5.1417 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.9917 -5.6292 0.0000 C 0 0 2 0 0 0 0 0 0^ 5.1292 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.4292 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0542 -2.6875 0.0000 O 0 0 0 0 0 0 0 0 0^ 6.5292 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4042 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.1542 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3042 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6625 -2.6875 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.6792 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3917 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.5292 -0.5250 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.0125 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.8417 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.3042 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6625 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.2417 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2917 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2917 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.6542 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.3042 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.8542 -4.8417 0.0000 H 0 0 0 0 0 0 0 0 0^ 0.8667 -5.0417 0.0000 H 0 0 0 0 0 0 0 0 0^ 1.5042 -6.3042 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 12 1 0 0 0^ 1 3 1 1 0 0^ 4 2 1 0 0 0^ 5 1 1 0 0 0^ 6 1 1 0 0 0^ 7 1 1 0 0 0^ 8 23 1 0 0 0^ 9 5 1 0 0 0^ 10 6 1 0 0 0^ 11 7 1 0 0 0^ 12 21 1 0 0 0^ 13 20 1 0 0 0^ 14 3 2 0 0 0^ 15 4 2 0 0 0^ 16 10 1 0 0 0^ 17 11 1 0 0 0^ 18 11 1 0 0 0^ 19 3 1 0 0 0^ 20 8 1 0 0 0^ 21 8 1 0 0 0^ 22 15 1 0 0 0^ 23 28 1 0 0 0^ 24 4 1 0 0 0^ 25 15 1 0 0 0^ 26 19 1 0 0 0^ 27 22 1 0 0 0^ 28 29 1 0 0 0^ 29 26 1 0 0 0^ 30 24 2 0 0 0^ 31 30 1 0 0 0^ 9 32 1 6 0 0^ 10 33 1 6 0 0^ 11 34 1 1 0 0^ 18 10 1 0 0 0^ 17 9 1 0 0 0^ 16 9 1 0 0 0^ 2 13 1 0 0 0^ 31 25 2 0 0 0^M END^^
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