1-[(3-chlorophenyl)methyl]-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-[(3-chlorophenyl)methyl]-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-[(3-chlorophenyl)methyl]-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-[(3-chlorophenyl)methyl]-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-[(3-chlorophenyl)methyl]-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-(3-chlorobenzyl)-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C21H19ClFN3O3 MolecularWeight: 415.845263

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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)CC4=CC(=CC=C4)Cl)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC4=CC(=CC=C4)Cl)F

InChI

InChI=1S/C21H19ClFN3O3/c22-14-3-1-2-13(8-14)11-26-12-16(21(28)29)20(27)15-9-17(23)19(10-18(15)26)25-6-4-24-5-7-25/h1-3,8-10,12,24H,4-7,11H2,(H,28,29)