7-(3-azanyl-4-cyclopropyl-3-methyl-pyrrolidin-1-yl)-6-fluoranyl-1-[(1R,2S)-2-fluoranylcyclopropyl]-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(3-azanyl-4-cyclopropyl-3-methyl-pyrrolidin-1-yl)-6-fluoranyl-1-[(1R,2S)-2-fluoranylcyclopropyl]-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3-amino-4-cyclopropyl-3-methyl-pyrrolidin-1-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3-amino-4-cyclopropyl-3-methyl-1-pyrrolidinyl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3-amino-4-cyclopropyl-3-methylpyrrolidin-1-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3-amino-4-cyclopropyl-3-methyl-pyrrolidino)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C22H25F2N3O3 MolecularWeight: 417.449006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CC(C(C3)(C)N)C4CC4)F)C(=O)C(=CN2C5CC5F)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CC(C(C3)(C)N)C4CC4)F)C(=O)C(=CN2[C@@H]5C[C@@H]5F)C(=O)O

InChI

InChI=1S/C22H25F2N3O3/c1-10-18-12(20(28)13(21(29)30)7-27(18)17-6-15(17)23)5-16(24)19(10)26-8-14(11-3-4-11)22(2,25)9-26/h5,7,11,14-15,17H,3-4,6,8-9,25H2,1-2H3,(H,29,30)/t14?,15-,17+,22?/m0/s1