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

Systemtic Name: N2-(4-azanylcyclohexyl)-3-(3-methoxyphenyl)carbonyl-N1-(4-methylphenyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-3-(3-methoxybenzoyl)-N1-(p-tolyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-3-[(3-methoxyphenyl)-oxomethyl]-N1-(4-methylphenyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-3-(3-methoxybenzoyl)-1-N-(4-methylphenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-3-m-anisoyl-N-(p-tolyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C27H35N5O4 MolecularWeight: 493.5979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N5O4/c1-18-7-11-22(12-8-18)30-27(35)32-16-4-15-31(26(34)19-5-3-6-23(17-19)36-2)25(32)24(33)29-21-13-9-20(28)10-14-21/h3,5-8,11-12,17,20-21,25H,4,9-10,13-16,28H2,1-2H3,(H,29,33)(H,30,35)