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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N5O3/c1-3-24-22(30)27-14-4-13-26(21(29)16-7-5-15(2)6-8-16)20(27)19(28)25-18-11-9-17(23)10-12-18/h5-8,17-18,20H,3-4,9-14,23H2,1-2H3,(H,24,30)(H,25,28)