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

Systemtic Name: N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]pyridine-4-carboxamide Openeye Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(3-methoxybenzoyl)piperazin-1-yl]phenyl]pyridine-4-carboxamide CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]-4-pyridinecarboxamide IUPAC Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(3-methoxybenzoyl)piperazin-1-yl]phenyl]pyridine-4-carboxamide Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-(4-m-anisoylpiperazino)phenyl]isonicotinamide Formula: C31H36N6O4 MolecularWeight: 556.65534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=NC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=NC=C5

InChI

InChI=1S/C31H36N6O4/c1-41-26-4-2-3-23(19-26)31(40)37-17-15-36(16-18-37)28-10-5-22(30(39)34-25-8-6-24(32)7-9-25)20-27(28)35-29(38)21-11-13-33-14-12-21/h2-5,10-14,19-20,24-25H,6-9,15-18,32H2,1H3,(H,34,39)(H,35,38)