7-[3-(4-cyanophenyl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(4-cyanophenyl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(4-cyanophenyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(4-cyanophenyl)-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(4-cyanophenyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(4-cyanophenyl)piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C24H21FN4O3 MolecularWeight: 432.446943

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(C4)C5=CC=C(C=C5)C#N)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(C4)C5=CC=C(C=C5)C#N)F)C(=O)O

InChI

InChI=1S/C24H21FN4O3/c25-19-9-17-21(29(16-5-6-16)12-18(23(17)30)24(31)32)10-22(19)28-8-7-27-20(13-28)15-3-1-14(11-26)2-4-15/h1-4,9-10,12,16,20,27H,5-8,13H2,(H,31,32)