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

Systemtic Name: 4-cyano-N-[2-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-5-(1,4-diazepan-1-ylcarbonyl)phenyl]benzamide Openeye Name: 4-cyano-N-[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]benzamide CAS Name: 4-cyano-N-[2-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]benzamide IUPAC Name: 4-cyano-N-[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]benzamide Traditional Name: 4-cyano-N-[2-[4-(4-cyanobenzoyl)piperazino]-5-(1,4-diazepane-1-carbonyl)phenyl]benzamide Formula: C32H31N7O3 MolecularWeight: 561.63364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)NC(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)NC(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C32H31N7O3/c33-21-23-2-6-25(7-3-23)30(40)36-28-20-27(32(42)38-14-1-12-35-13-15-38)10-11-29(28)37-16-18-39(19-17-37)31(41)26-8-4-24(22-34)5-9-26/h2-11,20,35H,1,12-19H2,(H,36,40)