6-fluoranyl-7-(3-methylpiperazin-1-yl)-1-naphthalen-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-7-(3-methylpiperazin-1-yl)-1-naphthalen-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-7-(3-methylpiperazin-1-yl)-1-(2-naphthyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-7-(3-methyl-1-piperazinyl)-1-(2-naphthalenyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-7-(3-methylpiperazin-1-yl)-1-naphthalen-2-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-7-(3-methylpiperazino)-1-(2-naphthyl)quinoline-3-carboxylic acid Formula: C25H22FN3O3 MolecularWeight: 431.458883

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC5=CC=CC=C5C=C4)F

Isomeric SMILES

CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC5=CC=CC=C5C=C4)F

InChI

InChI=1S/C25H22FN3O3/c1-15-13-28(9-8-27-15)23-12-22-19(11-21(23)26)24(30)20(25(31)32)14-29(22)18-7-6-16-4-2-3-5-17(16)10-18/h2-7,10-12,14-15,27H,8-9,13H2,1H3,(H,31,32)