7-[3-(aminomethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(aminomethyl)-1-pyrrolidinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(aminomethyl)pyrrolidino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C17H20FN3O3 MolecularWeight: 333.357403

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(C3)CN)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(C3)CN)F)C(=O)O

InChI

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