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

Systemtic Name: N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-pyridin-4-ylcarbonylpiperazin-1-yl)phenyl]pyridine-3-carboxamide Openeye Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-(4-isonicotinoylpiperazino)phenyl]nicotinamide Formula: C29H33N7O3 MolecularWeight: 527.61742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N7O3/c30-23-4-6-24(7-5-23)33-27(37)21-3-8-26(25(18-21)34-28(38)22-2-1-11-32-19-22)35-14-16-36(17-15-35)29(39)20-9-12-31-13-10-20/h1-3,8-13,18-19,23-24H,4-7,14-17,30H2,(H,33,37)(H,34,38)