(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 7-fluoranyl-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxylate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 7-fluoranyl-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxylate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate CAS Name: 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate Traditional Name: 7-fluoro-2-keto-3,4-dihydro-1H-quinoline-4-carboxylic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C21H17ClFN3O3 MolecularWeight: 413.829383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)C2CC(=O)NC3=C2C=CC(=C3)F)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1COC(=O)C2CC(=O)NC3=C2C=CC(=C3)F)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H17ClFN3O3/c1-12-17(20(22)26(25-12)14-5-3-2-4-6-14)11-29-21(28)16-10-19(27)24-18-9-13(23)7-8-15(16)18/h2-9,16H,10-11H2,1H3,(H,24,27)