N-[5-(1,4-diazepan-1-ylcarbonyl)-2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]-3-methoxy-benzamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]-3-methoxy-benzamide Openeye Name: N-[2-(4-benzoylpiperazin-1-yl)-5-(1,4-diazepane-1-carbonyl)phenyl]-3-methoxy-benzamide CAS Name: N-[2-(4-benzoyl-1-piperazinyl)-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-3-methoxybenzamide IUPAC Name: N-[2-(4-benzoylpiperazin-1-yl)-5-(1,4-diazepane-1-carbonyl)phenyl]-3-methoxybenzamide Traditional Name: N-[2-(4-benzoylpiperazino)-5-(1,4-diazepane-1-carbonyl)phenyl]-3-methoxy-benzamide Formula: C31H35N5O4 MolecularWeight: 541.6407

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCN(CC4)C(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCN(CC4)C(=O)C5=CC=CC=C5

InChI

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