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

Systemtic Name: N2-(4-azanylcyclohexyl)-N1-(4-methylphenyl)-3-(3-methylphenyl)carbonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-3-(3-methylbenzoyl)-N1-(p-tolyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-N1-(4-methylphenyl)-3-[(3-methylphenyl)-oxomethyl]-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-3-(3-methylbenzoyl)-1-N-(4-methylphenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-3-m-toluoyl-N-(p-tolyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C27H35N5O3 MolecularWeight: 477.5985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N5O3/c1-18-7-11-23(12-8-18)30-27(35)32-16-4-15-31(26(34)20-6-3-5-19(2)17-20)25(32)24(33)29-22-13-9-21(28)10-14-22/h3,5-8,11-12,17,21-22,25H,4,9-10,13-16,28H2,1-2H3,(H,29,33)(H,30,35)