7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoranyl-1-[(1R,2S)-2-fluoranylcyclopropyl]-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoranyl-1-[(1R,2S)-2-fluoranylcyclopropyl]-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3R,5S)-3,5-dimethylpiperazino]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C20H23F2N3O4 MolecularWeight: 407.411126

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4F)F

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)[C@@H]4C[C@@H]4F)F

InChI

InChI=1S/C20H23F2N3O4/c1-9-6-24(7-10(2)23-9)17-14(22)4-11-16(19(17)29-3)25(15-5-13(15)21)8-12(18(11)26)20(27)28/h4,8-10,13,15,23H,5-7H2,1-3H3,(H,27,28)/t9-,10+,13-,15+/m0/s1