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

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

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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=CC=C5

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=CC=C5

InChI

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