1-cyclopropyl-8-ethynyl-6-fluoranyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-8-ethynyl-6-fluoranyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-8-ethynyl-6-fluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-ethynyl-6-fluoro-7-[3-(methylaminomethyl)-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-ethynyl-6-fluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-8-ethynyl-6-fluoro-4-keto-7-[3-(methylaminomethyl)pyrrolidino]quinoline-3-carboxylic acid Formula: C21H22FN3O3 MolecularWeight: 383.416083

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1CCN(C1)C2=C(C=C3C(=C2C#C)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CNCC1CCN(C1)C2=C(C=C3C(=C2C#C)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C21H22FN3O3/c1-3-14-18-15(20(26)16(21(27)28)11-25(18)13-4-5-13)8-17(22)19(14)24-7-6-12(10-24)9-23-2/h1,8,11-13,23H,4-7,9-10H2,2H3,(H,27,28)