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

Systemtic Name: ethyl 6-azanyl-1-(4-fluorophenyl)-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: ethyl 6-amino-1-(4-fluorophenyl)-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylate CAS Name: 6-amino-1-(4-fluorophenyl)-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-1-(4-fluorophenyl)-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate Traditional Name: 6-amino-1-(4-fluorophenyl)-4-keto-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid ethyl ester Formula: C27H26FN5O3 MolecularWeight: 487.525443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)N)N3CCN(CC3)C4=CC=CC=N4)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)N)N3CCN(CC3)C4=CC=CC=N4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H26FN5O3/c1-2-36-27(35)21-17-33(19-8-6-18(28)7-9-19)23-16-24(22(29)15-20(23)26(21)34)31-11-13-32(14-12-31)25-5-3-4-10-30-25/h3-10,15-17H,2,11-14,29H2,1H3