N-[4-(azepan-1-yl)phenyl]-2-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(4-veratroylpiperazino)acetamide Formula: C27H36N4O4 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)N4CCCCCC4)OC

InChI

InChI=1S/C27H36N4O4/c1-34-24-12-7-21(19-25(24)35-2)27(33)31-17-15-29(16-18-31)20-26(32)28-22-8-10-23(11-9-22)30-13-5-3-4-6-14-30/h7-12,19H,3-6,13-18,20H2,1-2H3,(H,28,32)