7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-fluoranyl-1-naphthalen-1-yl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-fluoranyl-1-naphthalen-1-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-fluoro-1-(1-naphthyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3S,5R)-3,5-dimethyl-1-piperazinyl]-6-fluoro-1-(1-naphthalenyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-fluoro-1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3S,5R)-3,5-dimethylpiperazino]-6-fluoro-4-keto-1-(1-naphthyl)quinoline-3-carboxylic acid Formula: C26H24FN3O3 MolecularWeight: 445.485463

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=CC5=CC=CC=C54)F

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=CC5=CC=CC=C54)F

InChI

InChI=1S/C26H24FN3O3/c1-15-12-29(13-16(2)28-15)24-11-23-19(10-21(24)27)25(31)20(26(32)33)14-30(23)22-9-5-7-17-6-3-4-8-18(17)22/h3-11,14-16,28H,12-13H2,1-2H3,(H,32,33)/t15-,16+