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

Systemtic Name: N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-[4-(3-methylphenyl)carbonylpiperazin-1-yl]phenyl]pyridine-3-carboxamide Openeye Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-(4-m-toluoylpiperazino)phenyl]nicotinamide 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=CN=CC=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=CN=CC=C5

InChI

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