6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid hydrate hydrochloride

Systemtic Name: 6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid hydrate hydrochloride Openeye Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid hydrate hydrochloride CAS Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid hydrate hydrochloride IUPAC Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid hydrate hydrochloride Traditional Name: 6-fluoro-1-(4-fluorophenyl)-4-keto-7-piperazino-quinoline-3-carboxylic acid hydrate hydrochloride Formula: C20H20ClF2N3O4 MolecularWeight: 439.840306

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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=C(C=C4)F)F.O.Cl

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F.O.Cl

InChI

InChI=1S/C20H17F2N3O3.ClH.H2O/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24;;/h1-4,9-11,23H,5-8H2,(H,27,28);1H;1H2