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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)C#N)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)C#N)C3=C(C=C(C=C3)C(=O)N4CCNCC4)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)39-16-12-35-13-17-39)10-11-29(28)37-14-1-15-38(19-18-37)31(41)26-8-4-24(22-34)5-9-26/h2-11,20,35H,1,12-19H2,(H,36,40)