1-(azepan-1-yl)-2-[4-[2-[(4-methoxyphenyl)amino]phenyl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[2-[(4-methoxyphenyl)amino]phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[[2-(4-methoxyanilino)phenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[2-(p-anisidino)benzoyl]piperazino]ethanone Formula: C26H34N4O3 MolecularWeight: 450.57316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=CC=CC=C2C(=O)N3CCN(CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)NC2=CC=CC=C2C(=O)N3CCN(CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C26H34N4O3/c1-33-22-12-10-21(11-13-22)27-24-9-5-4-8-23(24)26(32)30-18-16-28(17-19-30)20-25(31)29-14-6-2-3-7-15-29/h4-5,8-13,27H,2-3,6-7,14-20H2,1H3