N2-(4-azanylcyclohexyl)-3-(2-chloranylpyridin-3-yl)carbonyl-N1-(3-methylphenyl)-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(4-azanylcyclohexyl)-3-(2-chloranylpyridin-3-yl)carbonyl-N1-(3-methylphenyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-3-(2-chloropyridine-3-carbonyl)-N1-(m-tolyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-3-[(2-chloro-3-pyridinyl)-oxomethyl]-N1-(3-methylphenyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-3-(2-chloropyridine-3-carbonyl)-1-N-(3-methylphenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-3-(2-chloronicotinoyl)-N-(m-tolyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C25H31ClN6O3 MolecularWeight: 499.00504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)C4=C(N=CC=C4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)C4=C(N=CC=C4)Cl

InChI

InChI=1S/C25H31ClN6O3/c1-16-5-2-6-19(15-16)30-25(35)32-14-4-13-31(24(34)20-7-3-12-28-21(20)26)23(32)22(33)29-18-10-8-17(27)9-11-18/h2-3,5-7,12,15,17-18,23H,4,8-11,13-14,27H2,1H3,(H,29,33)(H,30,35)