5-azanyl-7-[(3S)-3-azanylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-7-[(3S)-3-azanylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-[(3S)-3-amino-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-[(3S)-3-aminopyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C17H19FN4O3 MolecularWeight: 346.356163

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C(C(=C(C=C32)N4CCC(C4)N)F)N)C(=O)O

Isomeric SMILES

C1CN(C[C@H]1N)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)N)F

InChI

InChI=1S/C17H19FN4O3/c18-14-12(21-4-3-8(19)6-21)5-11-13(15(14)20)16(23)10(17(24)25)7-22(11)9-1-2-9/h5,7-9H,1-4,6,19-20H2,(H,24,25)/t8-/m0/s1