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

Systemtic Name: 5-azanyl-7-[(2R)-2-[azanyl(phenyl)methyl]pyrrolidin-1-yl]-6,8-bis(fluoranyl)-1-[(1R,2S)-2-fluoranylcyclopropyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[(2R)-2-[amino(phenyl)methyl]pyrrolidin-1-yl]-6,8-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-[(2R)-2-[amino(phenyl)methyl]-1-pyrrolidinyl]-6,8-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[(2R)-2-[amino(phenyl)methyl]pyrrolidin-1-yl]-6,8-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-[(2R)-2-[amino(phenyl)methyl]pyrrolidino]-6,8-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-keto-quinoline-3-carboxylic acid Formula: C24H23F3N4O3 MolecularWeight: 472.45963

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4F)C(=O)O)F)C(C5=CC=CC=C5)N

Isomeric SMILES

C1C[C@@H](N(C1)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3[C@@H]4C[C@@H]4F)C(=O)O)F)C(C5=CC=CC=C5)N

InChI

InChI=1S/C24H23F3N4O3/c25-13-9-15(13)31-10-12(24(33)34)23(32)16-20(29)17(26)22(18(27)21(16)31)30-8-4-7-14(30)19(28)11-5-2-1-3-6-11/h1-3,5-6,10,13-15,19H,4,7-9,28-29H2,(H,33,34)/t13-,14+,15+,19?/m0/s1