1-cyclopropyl-6-fluoranyl-8-(fluoranylmethyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-(fluoranylmethyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-8-(fluoromethyl)-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-8-(fluoromethyl)-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-8-(fluoromethyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-8-(fluoromethyl)-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C18H19F2N3O3 MolecularWeight: 363.358566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)CF)N4CCNCC4)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)CF)N4CCNCC4)F)C(=O)O

InChI

InChI=1S/C18H19F2N3O3/c19-8-12-15-11(7-14(20)16(12)22-5-3-21-4-6-22)17(24)13(18(25)26)9-23(15)10-1-2-10/h7,9-10,21H,1-6,8H2,(H,25,26)