6-fluoranyl-1-(3-fluorophenyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(3-fluorophenyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(3-fluorophenyl)-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(3-fluorophenyl)-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(3-fluorophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(3-fluorophenyl)-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C20H17F2N3O3 MolecularWeight: 385.364086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC(=CC=C4)F)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC(=CC=C4)F)F

InChI

InChI=1S/C20H17F2N3O3/c21-12-2-1-3-13(8-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-6-4-23-5-7-24/h1-3,8-11,23H,4-7H2,(H,27,28)