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

Systemtic Name: N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-[4-(3-methylphenyl)carbonylpiperazin-1-yl]phenyl]pyridine-4-carboxamide Openeye Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]pyridine-4-carboxamide CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-4-pyridinecarboxamide IUPAC Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]pyridine-4-carboxamide Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-(4-m-toluoylpiperazino)phenyl]isonicotinamide Formula: C31H36N6O3 MolecularWeight: 540.65594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C31H36N6O3/c1-21-3-2-4-24(19-21)31(40)37-17-15-36(16-18-37)28-10-5-23(30(39)34-26-8-6-25(32)7-9-26)20-27(28)35-29(38)22-11-13-33-14-12-22/h2-5,10-14,19-20,25-26H,6-9,15-18,32H2,1H3,(H,34,39)(H,35,38)