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

Systemtic Name: N2-(4-azanylcyclohexyl)-3-(3,4-dichlorophenyl)carbonyl-N1-prop-2-enyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N1-allyl-N2-(4-aminocyclohexyl)-3-(3,4-dichlorobenzoyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-3-[(3,4-dichlorophenyl)-oxomethyl]-N1-prop-2-enyl-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-3-(3,4-dichlorobenzoyl)-1-N-prop-2-enyl-1,3-diazinane-1,2-dicarboxamide Traditional Name: N-allyl-N'-(4-aminocyclohexyl)-3-(3,4-dichlorobenzoyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C22H29Cl2N5O3 MolecularWeight: 482.40336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29Cl2N5O3/c1-2-10-26-22(32)29-12-3-11-28(21(31)14-4-9-17(23)18(24)13-14)20(29)19(30)27-16-7-5-15(25)6-8-16/h2,4,9,13,15-16,20H,1,3,5-8,10-12,25H2,(H,26,32)(H,27,30)