5-azanyl-1-cyclopropyl-7-[(3S,5S)-4-ethanoyl-3,5-dimethyl-piperazin-1-yl]-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 5-azanyl-1-cyclopropyl-7-[(3S,5S)-4-ethanoyl-3,5-dimethyl-piperazin-1-yl]-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 7-[(3S,5S)-4-acetyl-3,5-dimethyl-piperazin-1-yl]-5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-[(3S,5S)-4-acetyl-3,5-dimethyl-1-piperazinyl]-5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylate IUPAC Name: 7-[(3S,5S)-4-acetyl-3,5-dimethylpiperazin-1-yl]-5-amino-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylate Traditional Name: 7-[(3S,5S)-4-acetyl-3,5-dimethyl-piperazino]-5-amino-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylate Formula: C21H23F2N4O4- MolecularWeight: 433.428526

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C(=O)C)C)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)[O-])F

Isomeric SMILES

C[C@H]1CN(C[C@@H](N1C(=O)C)C)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)[O-])F

InChI

InChI=1S/C21H24F2N4O4/c1-9-6-25(7-10(2)27(9)11(3)28)19-15(22)17(24)14-18(16(19)23)26(12-4-5-12)8-13(20(14)29)21(30)31/h8-10,12H,4-7,24H2,1-3H3,(H,30,31)/p-1/t9-,10-/m0/s1