N-(3-chloranyl-4-fluoranyl-phenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-1-homoveratryl-5-keto-pyrrolidine-3-carboxamide Formula: C21H22ClFN2O4 MolecularWeight: 420.861783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)NC3=CC(=C(C=C3)F)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)NC3=CC(=C(C=C3)F)Cl)OC

InChI

InChI=1S/C21H22ClFN2O4/c1-28-18-6-3-13(9-19(18)29-2)7-8-25-12-14(10-20(25)26)21(27)24-15-4-5-17(23)16(22)11-15/h3-6,9,11,14H,7-8,10,12H2,1-2H3,(H,24,27)