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

Systemtic Name: N2-(4-azanylcyclohexyl)-N1-ethyl-3-(3-methylphenyl)carbonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-N1-ethyl-3-(3-methylbenzoyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-N1-ethyl-3-[(3-methylphenyl)-oxomethyl]-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-1-N-ethyl-3-(3-methylbenzoyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-N-ethyl-3-m-toluoyl-hexahydropyrimidine-1,2-dicarboxamide Formula: C22H33N5O3 MolecularWeight: 415.52912

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCCN(C1C(=O)NC2CCC(CC2)N)C(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCNC(=O)N1CCCN(C1C(=O)NC2CCC(CC2)N)C(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C22H33N5O3/c1-3-24-22(30)27-13-5-12-26(21(29)16-7-4-6-15(2)14-16)20(27)19(28)25-18-10-8-17(23)9-11-18/h4,6-7,14,17-18,20H,3,5,8-13,23H2,1-2H3,(H,24,30)(H,25,28)