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

Systemtic Name: N2-(4-azanylcyclohexyl)-3-(4-chlorophenyl)carbonyl-N1-(3-methylphenyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-3-(4-chlorobenzoyl)-N1-(m-tolyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-3-[(4-chlorophenyl)-oxomethyl]-N1-(3-methylphenyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-3-(4-chlorobenzoyl)-1-N-(3-methylphenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-3-(4-chlorobenzoyl)-N-(m-tolyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C26H32ClN5O3 MolecularWeight: 498.01698

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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=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H32ClN5O3/c1-17-4-2-5-22(16-17)30-26(35)32-15-3-14-31(25(34)18-6-8-19(27)9-7-18)24(32)23(33)29-21-12-10-20(28)11-13-21/h2,4-9,16,20-21,24H,3,10-15,28H2,1H3,(H,29,33)(H,30,35)