7-[3-(aminomethyl)pyrrolidin-1-yl]-1-ethyl-5,6,8-tris(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-ethyl-5,6,8-tris(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-ethyl-5,6,8-trifluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(aminomethyl)-1-pyrrolidinyl]-1-ethyl-5,6,8-trifluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-ethyl-5,6,8-trifluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(aminomethyl)pyrrolidino]-1-ethyl-5,6,8-trifluoro-4-keto-quinoline-3-carboxylic acid Formula: C17H18F3N3O3 MolecularWeight: 369.33833

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C(=C(C(=C2F)F)N3CCC(C3)CN)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C(=C(C(=C2F)F)N3CCC(C3)CN)F)C(=O)O

InChI

InChI=1S/C17H18F3N3O3/c1-2-22-7-9(17(25)26)16(24)10-11(18)12(19)15(13(20)14(10)22)23-4-3-8(5-21)6-23/h7-8H,2-6,21H2,1H3,(H,25,26)