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

Systemtic Name: 7-[3-(diethylaminomethyl)pyrrolidin-1-yl]-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(diethylaminomethyl)pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(diethylaminomethyl)-1-pyrrolidinyl]-1-ethyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(diethylaminomethyl)pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(diethylaminomethyl)pyrrolidino]-1-ethyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H27F2N3O3 MolecularWeight: 407.454186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27F2N3O3/c1-4-24(5-2)10-13-7-8-26(11-13)19-16(22)9-14-18(17(19)23)25(6-3)12-15(20(14)27)21(28)29/h9,12-13H,4-8,10-11H2,1-3H3,(H,28,29)