4-cyano-N-[5-piperazin-1-ylcarbonyl-2-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)phenyl]benzamide

Systemtic Name: 4-cyano-N-[5-piperazin-1-ylcarbonyl-2-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)phenyl]benzamide Openeye Name: 4-cyano-N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]benzamide CAS Name: 4-cyano-N-[5-[oxo(1-piperazinyl)methyl]-2-[4-[oxo(3-pyridinyl)methyl]-1,4-diazepan-1-yl]phenyl]benzamide IUPAC Name: 4-cyano-N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]benzamide Traditional Name: 4-cyano-N-[2-(4-nicotinoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]benzamide Formula: C30H31N7O3 MolecularWeight: 537.61224

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H31N7O3/c31-20-22-4-6-23(7-5-22)28(38)34-26-19-24(29(39)37-15-11-32-12-16-37)8-9-27(26)35-13-2-14-36(18-17-35)30(40)25-3-1-10-33-21-25/h1,3-10,19,21,32H,2,11-18H2,(H,34,38)