7-fluoranyl-N-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxamide

Systemtic Name: 7-fluoranyl-N-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxamide Openeye Name: 7-fluoro-N-[4-(3-methylbutanoylamino)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide CAS Name: 7-fluoro-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide IUPAC Name: 7-fluoro-N-[4-(3-methylbutanoylamino)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide Traditional Name: 7-fluoro-N-[4-(isovalerylamino)phenyl]-2-keto-3,4-dihydro-1H-quinoline-4-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(=O)NC3=C2C=CC(=C3)F

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2CC(=O)NC3=C2C=CC(=C3)F

InChI

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