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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3,4-dichlorophenyl)carbonyl-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3,4-dichlorobenzoyl)-3-(3-phenylpropanoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(3,4-dichlorophenyl)-oxomethyl]-3-(1-oxo-3-phenylpropyl)-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3,4-dichlorobenzoyl)-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(3,4-dichlorobenzoyl)-3-hydrocinnamoyl-hexahydropyrimidine-2-carboxamide Formula: C27H32Cl2N4O3 MolecularWeight: 531.47398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)NC3CCC(CC3)N)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(C(N(C1)C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)NC3CCC(CC3)N)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H32Cl2N4O3/c28-22-13-8-19(17-23(22)29)27(36)33-16-4-15-32(24(34)14-7-18-5-2-1-3-6-18)26(33)25(35)31-21-11-9-20(30)10-12-21/h1-3,5-6,8,13,17,20-21,26H,4,7,9-12,14-16,30H2,(H,31,35)