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

Systemtic Name: N-[2-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-3-methoxy-benzamide Openeye Name: N-[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-3-methoxy-benzamide CAS Name: N-[2-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-3-methoxybenzamide IUPAC Name: N-[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-3-methoxybenzamide Traditional Name: N-[2-[4-(4-cyanobenzoyl)piperazino]-5-(1,4-diazepane-1-carbonyl)phenyl]-3-methoxy-benzamide Formula: C32H34N6O4 MolecularWeight: 566.65016

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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=C(C=C5)C#N

Isomeric SMILES

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

InChI

InChI=1S/C32H34N6O4/c1-42-27-5-2-4-25(20-27)30(39)35-28-21-26(32(41)37-14-3-12-34-13-15-37)10-11-29(28)36-16-18-38(19-17-36)31(40)24-8-6-23(22-33)7-9-24/h2,4-11,20-21,34H,3,12-19H2,1H3,(H,35,39)