7-(2-azanylpyrrolidin-1-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-1-prop-2-ynyl-quinoline-3-carboxylic acid

Systemtic Name: 7-(2-azanylpyrrolidin-1-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-1-prop-2-ynyl-quinoline-3-carboxylic acid Openeye Name: 7-(2-aminopyrrolidin-1-yl)-6,8-difluoro-4-oxo-1-prop-2-ynyl-quinoline-3-carboxylic acid CAS Name: 7-(2-amino-1-pyrrolidinyl)-6,8-difluoro-4-oxo-1-prop-2-ynyl-3-quinolinecarboxylic acid IUPAC Name: 7-(2-aminopyrrolidin-1-yl)-6,8-difluoro-4-oxo-1-prop-2-ynylquinoline-3-carboxylic acid Traditional Name: 7-(2-aminopyrrolidino)-6,8-difluoro-4-keto-1-propargyl-quinoline-3-carboxylic acid Formula: C17H15F2N3O3 MolecularWeight: 347.316106

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCCC3N)F)C(=O)O

Isomeric SMILES

C#CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCCC3N)F)C(=O)O

InChI

InChI=1S/C17H15F2N3O3/c1-2-5-21-8-10(17(24)25)16(23)9-7-11(18)15(13(19)14(9)21)22-6-3-4-12(22)20/h1,7-8,12H,3-6,20H2,(H,24,25)