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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC(=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)21-8-12-25(13-9-21)32-29(37)34-17-5-16-33(28(36)22-7-4-6-20(3)18-22)27(34)26(35)31-24-14-10-23(30)11-15-24/h4,6-9,12-13,18-19,23-24,27H,5,10-11,14-17,30H2,1-3H3,(H,31,35)(H,32,37)