N-[2-(butan-2-ylcarbamoyl)phenyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

Systemtic Name: N-[2-(butan-2-ylcarbamoyl)phenyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: 3-(3-fluorophenyl)-N-[2-(sec-butylcarbamoyl)phenyl]-4,5-dihydroisoxazole-5-carboxamide CAS Name: N-[2-[(butan-2-ylamino)-oxomethyl]phenyl]-3-(3-fluorophenyl)-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: N-[2-(butan-2-ylcarbamoyl)phenyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: 3-(3-fluorophenyl)-N-[2-(sec-butylcarbamoyl)phenyl]-2-isoxazoline-5-carboxamide Formula: C21H22FN3O3 MolecularWeight: 383.416083

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2CC(=NO2)C3=CC(=CC=C3)F

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2CC(=NO2)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H22FN3O3/c1-3-13(2)23-20(26)16-9-4-5-10-17(16)24-21(27)19-12-18(25-28-19)14-7-6-8-15(22)11-14/h4-11,13,19H,3,12H2,1-2H3,(H,23,26)(H,24,27)