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

Systemtic Name: N2-(4-azanylcyclohexyl)-3-(4-methylphenyl)carbonyl-N1-(4-propan-2-ylphenyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-N1-(4-isopropylphenyl)-3-(4-methylbenzoyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-3-[(4-methylphenyl)-oxomethyl]-N1-(4-propan-2-ylphenyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-3-(4-methylbenzoyl)-1-N-(4-propan-2-ylphenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-N-p-cumenyl-3-p-toluoyl-hexahydropyrimidine-1,2-dicarboxamide Formula: C29H39N5O3 MolecularWeight: 505.65166

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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H39N5O3/c1-19(2)21-9-13-25(14-10-21)32-29(37)34-18-4-17-33(28(36)22-7-5-20(3)6-8-22)27(34)26(35)31-24-15-11-23(30)12-16-24/h5-10,13-14,19,23-24,27H,4,11-12,15-18,30H2,1-3H3,(H,31,35)(H,32,37)