N-(4-azanylcyclohexyl)-1-(4-chlorophenyl)carbonyl-3-(3-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(4-chlorophenyl)carbonyl-3-(3-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(4-chlorobenzoyl)-3-(3-methylbenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(4-chlorophenyl)-oxomethyl]-3-[(3-methylphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(4-chlorobenzoyl)-3-(3-methylbenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(4-chlorobenzoyl)-3-m-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C26H31ClN4O3 MolecularWeight: 483.00234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31ClN4O3/c1-17-4-2-5-19(16-17)26(34)31-15-3-14-30(25(33)18-6-8-20(27)9-7-18)24(31)23(32)29-22-12-10-21(28)11-13-22/h2,4-9,16,21-22,24H,3,10-15,28H2,1H3,(H,29,32)