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

Systemtic Name: 3-(3-fluorophenyl)-N-[4-(3-methylbutanoylamino)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: 3-(3-fluorophenyl)-N-[4-(3-methylbutanoylamino)phenyl]-4,5-dihydroisoxazole-5-carboxamide CAS Name: 3-(3-fluorophenyl)-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: 3-(3-fluorophenyl)-N-[4-(3-methylbutanoylamino)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: 3-(3-fluorophenyl)-N-[4-(isovalerylamino)phenyl]-2-isoxazoline-5-carboxamide Formula: C21H22FN3O3 MolecularWeight: 383.416083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2CC(=NO2)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2CC(=NO2)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H22FN3O3/c1-13(2)10-20(26)23-16-6-8-17(9-7-16)24-21(27)19-12-18(25-28-19)14-4-3-5-15(22)11-14/h3-9,11,13,19H,10,12H2,1-2H3,(H,23,26)(H,24,27)