6-azanyl-1-(4-fluorophenyl)-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-1-(4-fluorophenyl)-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-amino-1-(4-fluorophenyl)-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 6-amino-1-(4-fluorophenyl)-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1-(4-fluorophenyl)-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-amino-1-(4-fluorophenyl)-4-keto-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid Formula: C25H22FN5O3 MolecularWeight: 459.472283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=CC=C(C=C5)F)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=CC=C(C=C5)F)N

InChI

InChI=1S/C25H22FN5O3/c26-16-4-6-17(7-5-16)31-15-19(25(33)34)24(32)18-13-20(27)22(14-21(18)31)29-9-11-30(12-10-29)23-3-1-2-8-28-23/h1-8,13-15H,9-12,27H2,(H,33,34)