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

Systemtic Name: 1-[(4-bromophenyl)methyl]-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-[(4-bromophenyl)methyl]-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-[(4-bromophenyl)methyl]-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)methyl]-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-(4-bromobenzyl)-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C21H19BrFN3O3 MolecularWeight: 460.296263

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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=C(C=C4)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrFN3O3/c22-14-3-1-13(2-4-14)11-26-12-16(21(28)29)20(27)15-9-17(23)19(10-18(15)26)25-7-5-24-6-8-25/h1-4,9-10,12,24H,5-8,11H2,(H,28,29)