N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]phenyl]pyridine-3-carboxamide

Systemtic Name: N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]phenyl]pyridine-3-carboxamide Openeye Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(4-cyanobenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(4-cyanobenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(4-cyanobenzoyl)piperazino]phenyl]nicotinamide Formula: C31H33N7O3 MolecularWeight: 551.63882

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)NC(=O)C5=CN=CC=C5

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C31H33N7O3/c32-19-21-3-5-22(6-4-21)31(41)38-16-14-37(15-17-38)28-12-7-23(29(39)35-26-10-8-25(33)9-11-26)18-27(28)36-30(40)24-2-1-13-34-20-24/h1-7,12-13,18,20,25-26H,8-11,14-17,33H2,(H,35,39)(H,36,40)