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

Systemtic Name: N2-(4-azanylcyclohexyl)-3-(3,4-dichlorophenyl)carbonyl-N1-ethyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-3-(3,4-dichlorobenzoyl)-N1-ethyl-hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-3-[(3,4-dichlorophenyl)-oxomethyl]-N1-ethyl-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-3-(3,4-dichlorobenzoyl)-1-N-ethyl-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-3-(3,4-dichlorobenzoyl)-N-ethyl-hexahydropyrimidine-1,2-dicarboxamide Formula: C21H29Cl2N5O3 MolecularWeight: 470.39266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29Cl2N5O3/c1-2-25-21(31)28-11-3-10-27(20(30)13-4-9-16(22)17(23)12-13)19(28)18(29)26-15-7-5-14(24)6-8-15/h4,9,12,14-15,19H,2-3,5-8,10-11,24H2,1H3,(H,25,31)(H,26,29)