7-(3-azanylpyrrolidin-1-yl)-6-fluoranyl-4-oxidanylidene-1-propan-2-yl-quinoline-3-carboxylic acid

Systemtic Name: 7-(3-azanylpyrrolidin-1-yl)-6-fluoranyl-4-oxidanylidene-1-propan-2-yl-quinoline-3-carboxylic acid Openeye Name: 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-isopropyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3-amino-1-pyrrolidinyl)-6-fluoro-4-oxo-1-propan-2-yl-3-quinolinecarboxylic acid IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid Traditional Name: 7-(3-aminopyrrolidino)-6-fluoro-1-isopropyl-4-keto-quinoline-3-carboxylic acid Formula: C17H20FN3O3 MolecularWeight: 333.357403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(C3)N)F)C(=O)O

Isomeric SMILES

CC(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(C3)N)F)C(=O)O

InChI

InChI=1S/C17H20FN3O3/c1-9(2)21-8-12(17(23)24)16(22)11-5-13(18)15(6-14(11)21)20-4-3-10(19)7-20/h5-6,8-10H,3-4,7,19H2,1-2H3,(H,23,24)