7-(4-azanyl-3,3-dimethyl-piperidin-4-yl)-1,8-diethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(4-azanyl-3,3-dimethyl-piperidin-4-yl)-1,8-diethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-amino-3,3-dimethyl-4-piperidyl)-1,8-diethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(4-amino-3,3-dimethyl-4-piperidinyl)-1,8-diethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(4-amino-3,3-dimethylpiperidin-4-yl)-1,8-diethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-amino-3,3-dimethyl-4-piperidyl)-1,8-diethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H28FN3O3 MolecularWeight: 389.463723

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1C3(CCNCC3(C)C)N)F)C(=O)C(=CN2CC)C(=O)O

Isomeric SMILES

CCC1=C2C(=CC(=C1C3(CCNCC3(C)C)N)F)C(=O)C(=CN2CC)C(=O)O

InChI

InChI=1S/C21H28FN3O3/c1-5-12-16(21(23)7-8-24-11-20(21,3)4)15(22)9-13-17(12)25(6-2)10-14(18(13)26)19(27)28/h9-10,24H,5-8,11,23H2,1-4H3,(H,27,28)