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

Systemtic Name: 5-azanyl-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazino]-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C19H23FN4O3 MolecularWeight: 374.409323

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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)C4CC4)N)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)C4CC4)N)F

InChI

InChI=1S/C19H23FN4O3/c1-9-6-23(7-10(2)22-9)14-5-13-15(17(21)16(14)20)18(25)12(19(26)27)8-24(13)11-3-4-11/h5,8-11,22H,3-4,6-7,21H2,1-2H3,(H,26,27)/t9-,10+