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

Systemtic Name: 7-[3-(aminomethyl)pyrrolidin-1-yl]-5-azanyl-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[3-(aminomethyl)pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-[3-(aminomethyl)-1-pyrrolidinyl]-1-ethyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[3-(aminomethyl)pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-[3-(aminomethyl)pyrrolidino]-1-ethyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C17H20F2N4O3 MolecularWeight: 366.362506

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C(=C(C(=C2N)F)N3CCC(C3)CN)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C(=C(C(=C2N)F)N3CCC(C3)CN)F)C(=O)O

InChI

InChI=1S/C17H20F2N4O3/c1-2-22-7-9(17(25)26)16(24)10-13(21)11(18)15(12(19)14(10)22)23-4-3-8(5-20)6-23/h7-8H,2-6,20-21H2,1H3,(H,25,26)