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

Systemtic Name: 1-(4-cyanophenyl)-6-fluoranyl-4-oxidanylidene-2-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-6-fluoro-4-oxo-2-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-(4-cyanophenyl)-6-fluoro-4-oxo-2-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-(4-cyanophenyl)-6-fluoro-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-6-fluoro-4-keto-2-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(=O)C3=C(N2C4=CC=C(C=C4)C#N)C=CC(=C3)F)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=C(C(=O)C3=C(N2C4=CC=C(C=C4)C#N)C=CC(=C3)F)C(=O)O

InChI

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