N-(2-butan-2-ylphenyl)-1-(3-chloranyl-4-fluoranyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-(2-butan-2-ylphenyl)-1-(3-chloranyl-4-fluoranyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-5-oxo-N-(2-sec-butylphenyl)pyrrolidine-3-carboxamide CAS Name: N-(2-butan-2-ylphenyl)-1-(3-chloro-4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-(2-butan-2-ylphenyl)-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-keto-N-(2-sec-butylphenyl)pyrrolidine-3-carboxamide Formula: C21H22ClFN2O2 MolecularWeight: 388.862983

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C2CC(=O)N(C2)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C2CC(=O)N(C2)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H22ClFN2O2/c1-3-13(2)16-6-4-5-7-19(16)24-21(27)14-10-20(26)25(12-14)15-8-9-18(23)17(22)11-15/h4-9,11,13-14H,3,10,12H2,1-2H3,(H,24,27)