N-(4-azanylcyclohexyl)-1-(3,4-dichlorophenyl)carbonyl-3-pyridin-3-ylcarbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3,4-dichlorophenyl)carbonyl-3-pyridin-3-ylcarbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3,4-dichlorobenzoyl)-3-(pyridine-3-carbonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(3,4-dichlorophenyl)-oxomethyl]-3-[oxo(3-pyridinyl)methyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3,4-dichlorobenzoyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(3,4-dichlorobenzoyl)-3-nicotinoyl-hexahydropyrimidine-2-carboxamide Formula: C24H27Cl2N5O3 MolecularWeight: 504.40888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)C2=CN=CC=C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(C(N(C1)C(=O)C2=CN=CC=C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H27Cl2N5O3/c25-19-9-4-15(13-20(19)26)23(33)30-11-2-12-31(24(34)16-3-1-10-28-14-16)22(30)21(32)29-18-7-5-17(27)6-8-18/h1,3-4,9-10,13-14,17-18,22H,2,5-8,11-12,27H2,(H,29,32)