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

Systemtic Name: 2-[3-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]-N-cyclooctyl-ethanamide Openeye Name: 2-[3-[(2-chloro-4-fluoro-phenyl)methyl]-2-oxo-hexahydropyrimidin-1-yl]-N-cyclooctyl-acetamide CAS Name: 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclooctylacetamide IUPAC Name: 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclooctylacetamide Traditional Name: 2-[3-(2-chloro-4-fluoro-benzyl)-2-keto-hexahydropyrimidin-1-yl]-N-cyclooctyl-acetamide Formula: C21H29ClFN3O2 MolecularWeight: 409.925263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CN2CCCN(C2=O)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CN2CCCN(C2=O)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C21H29ClFN3O2/c22-19-13-17(23)10-9-16(19)14-25-11-6-12-26(21(25)28)15-20(27)24-18-7-4-2-1-3-5-8-18/h9-10,13,18H,1-8,11-12,14-15H2,(H,24,27)