N-(4-azanylcyclohexyl)-1-(2-cyclopentyl-2-phenyl-ethanoyl)-3-(3,4-dichlorophenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(2-cyclopentyl-2-phenyl-ethanoyl)-3-(3,4-dichlorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(2-cyclopentyl-2-phenyl-acetyl)-3-(3,4-dichlorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-(2-cyclopentyl-1-oxo-2-phenylethyl)-3-[(3,4-dichlorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(2-cyclopentyl-2-phenylacetyl)-3-(3,4-dichlorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(2-cyclopentyl-2-phenyl-acetyl)-3-(3,4-dichlorobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C31H38Cl2N4O3 MolecularWeight: 585.56442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)C(=O)N3CCCN(C3C(=O)NC4CCC(CC4)N)C(=O)C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

C1CCC(C1)C(C2=CC=CC=C2)C(=O)N3CCCN(C3C(=O)NC4CCC(CC4)N)C(=O)C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C31H38Cl2N4O3/c32-25-16-11-22(19-26(25)33)30(39)36-17-6-18-37(29(36)28(38)35-24-14-12-23(34)13-15-24)31(40)27(21-9-4-5-10-21)20-7-2-1-3-8-20/h1-3,7-8,11,16,19,21,23-24,27,29H,4-6,9-10,12-15,17-18,34H2,(H,35,38)