2-[3-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[3-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[3-[(2-chloro-4-fluoro-phenyl)methyl]-2-oxo-hexahydropyrimidin-1-yl]-N-phenethyl-acetamide CAS Name: 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-phenethylacetamide Traditional Name: 2-[3-(2-chloro-4-fluoro-benzyl)-2-keto-hexahydropyrimidin-1-yl]-N-phenethyl-acetamide Formula: C21H23ClFN3O2 MolecularWeight: 403.877623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N(C1)CC(=O)NCCC2=CC=CC=C2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CN(C(=O)N(C1)CC(=O)NCCC2=CC=CC=C2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C21H23ClFN3O2/c22-19-13-18(23)8-7-17(19)14-25-11-4-12-26(21(25)28)15-20(27)24-10-9-16-5-2-1-3-6-16/h1-3,5-8,13H,4,9-12,14-15H2,(H,24,27)