N-[5-(1,4-diazepan-1-ylcarbonyl)-2-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]benzamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]benzamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]phenyl]benzamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]benzamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]phenyl]benzamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-(4-m-anisoylpiperazino)phenyl]benzamide Formula: C31H35N5O4 MolecularWeight: 541.6407

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H35N5O4/c1-40-26-10-5-9-24(21-26)30(38)36-19-17-34(18-20-36)28-12-11-25(31(39)35-15-6-13-32-14-16-35)22-27(28)33-29(37)23-7-3-2-4-8-23/h2-5,7-12,21-22,32H,6,13-20H2,1H3,(H,33,37)