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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)NC4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)NC4=CC=C(C=C4)C

InChI

InChI=1S/C27H35N5O3/c1-18-4-8-20(9-5-18)26(34)31-16-3-17-32(27(35)30-23-12-6-19(2)7-13-23)25(31)24(33)29-22-14-10-21(28)11-15-22/h4-9,12-13,21-22,25H,3,10-11,14-17,28H2,1-2H3,(H,29,33)(H,30,35)