1-(2-cyanophenyl)-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-(2-cyanophenyl)-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-(2-cyanophenyl)-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-(2-cyanophenyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-(2-cyanophenyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-(2-cyanophenyl)-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C21H17FN4O3 MolecularWeight: 392.383083

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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=C4C#N)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=CC=C4C#N)F

InChI

InChI=1S/C21H17FN4O3/c22-16-9-14-18(10-19(16)25-7-5-24-6-8-25)26(12-15(20(14)27)21(28)29)17-4-2-1-3-13(17)11-23/h1-4,9-10,12,24H,5-8H2,(H,28,29)