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

Systemtic Name: 4-cyano-N-[2-[4-(phenylcarbonyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]benzamide Openeye Name: N-[2-(4-benzoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]-4-cyano-benzamide CAS Name: N-[2-(4-benzoyl-1,4-diazepan-1-yl)-5-[oxo(1-piperazinyl)methyl]phenyl]-4-cyanobenzamide IUPAC Name: N-[2-(4-benzoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]-4-cyanobenzamide Traditional Name: N-[2-(4-benzoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]-4-cyano-benzamide Formula: C31H32N6O3 MolecularWeight: 536.62418

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H32N6O3/c32-22-23-7-9-24(10-8-23)29(38)34-27-21-26(31(40)37-17-13-33-14-18-37)11-12-28(27)35-15-4-16-36(20-19-35)30(39)25-5-2-1-3-6-25/h1-3,5-12,21,33H,4,13-20H2,(H,34,38)