7-(7a-azanyl-3,3a-dihydro-1H-isoindol-2-yl)-2-ethyl-6-fluoranyl-1-(1-fluoranyl-2-methyl-propan-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(7a-azanyl-3,3a-dihydro-1H-isoindol-2-yl)-2-ethyl-6-fluoranyl-1-(1-fluoranyl-2-methyl-propan-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-2-ethyl-6-fluoro-1-(2-fluoro-1,1-dimethyl-ethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-2-ethyl-6-fluoro-1-(1-fluoro-2-methylpropan-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-2-ethyl-6-fluoro-1-(1-fluoro-2-methylpropan-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-2-ethyl-6-fluoro-1-(2-fluoro-1,1-dimethyl-ethyl)-4-keto-quinoline-3-carboxylic acid Formula: C24H27F2N3O3 MolecularWeight: 443.486286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C2=CC(=C(C=C2N1C(C)(C)CF)N3CC4C=CC=CC4(C3)N)F)C(=O)O

Isomeric SMILES

CCC1=C(C(=O)C2=CC(=C(C=C2N1C(C)(C)CF)N3CC4C=CC=CC4(C3)N)F)C(=O)O

InChI

InChI=1S/C24H27F2N3O3/c1-4-17-20(22(31)32)21(30)15-9-16(26)19(10-18(15)29(17)23(2,3)12-25)28-11-14-7-5-6-8-24(14,27)13-28/h5-10,14H,4,11-13,27H2,1-3H3,(H,31,32)