7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-(4-ethanoylphenyl)-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-(4-ethanoylphenyl)-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(4-acetylphenyl)-7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(4-acetylphenyl)-7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(4-acetylphenyl)-7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(4-acetylphenyl)-7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C24H22FN3O5 MolecularWeight: 451.446983

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C=C(C(=O)C3=CC(=C(C(=C32)OC)N4CC5CC4CN5)F)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C=C(C(=O)C3=CC(=C(C(=C32)OC)N4C[C@@H]5C[C@H]4CN5)F)C(=O)O

InChI

InChI=1S/C24H22FN3O5/c1-12(29)13-3-5-15(6-4-13)28-11-18(24(31)32)22(30)17-8-19(25)21(23(33-2)20(17)28)27-10-14-7-16(27)9-26-14/h3-6,8,11,14,16,26H,7,9-10H2,1-2H3,(H,31,32)/t14-,16-/m0/s1