4-cyano-N-[2-[4-[2-(4-methoxyphenyl)ethanoyl]-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]benzamide

Systemtic Name: 4-cyano-N-[2-[4-[2-(4-methoxyphenyl)ethanoyl]-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]benzamide Openeye Name: 4-cyano-N-[2-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide CAS Name: 4-cyano-N-[2-[4-[2-(4-methoxyphenyl)-1-oxoethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]benzamide IUPAC Name: 4-cyano-N-[2-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Traditional Name: 4-cyano-N-[2-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Formula: C33H36N6O4 MolecularWeight: 580.67674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C33H36N6O4/c1-43-28-10-5-24(6-11-28)21-31(40)38-16-2-15-37(19-20-38)30-12-9-27(33(42)39-17-13-35-14-18-39)22-29(30)36-32(41)26-7-3-25(23-34)4-8-26/h3-12,22,35H,2,13-21H2,1H3,(H,36,41)