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

Systemtic Name: 2-[3-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]-N-cycloheptyl-ethanamide Openeye Name: 2-[3-[(2-chloro-4-fluoro-phenyl)methyl]-2-oxo-hexahydropyrimidin-1-yl]-N-cycloheptyl-acetamide CAS Name: 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cycloheptylacetamide IUPAC Name: 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cycloheptylacetamide Traditional Name: 2-[3-(2-chloro-4-fluoro-benzyl)-2-keto-hexahydropyrimidin-1-yl]-N-cycloheptyl-acetamide Formula: C20H27ClFN3O2 MolecularWeight: 395.898683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CN2CCCN(C2=O)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CCCC(CC1)NC(=O)CN2CCCN(C2=O)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C20H27ClFN3O2/c21-18-12-16(22)9-8-15(18)13-24-10-5-11-25(20(24)27)14-19(26)23-17-6-3-1-2-4-7-17/h8-9,12,17H,1-7,10-11,13-14H2,(H,23,26)