1-ethyl-7,9-bis(fluoranyl)-8-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 1-ethyl-7,9-bis(fluoranyl)-8-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-ethyl-7,9-difluoro-8-(3-methylpiperazin-1-yl)-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-ethyl-7,9-difluoro-8-(3-methyl-1-piperazinyl)-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-ethyl-7,9-difluoro-8-(3-methylpiperazin-1-yl)-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-ethyl-7,9-difluoro-4-keto-8-(3-methylpiperazino)quinolizine-3-carboxylic acid Formula: C17H19F2N3O3 MolecularWeight: 351.347866

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=C(C(=CN2C(=O)C(=C1)C(=O)O)F)N3CCNC(C3)C)F

Isomeric SMILES

CCC1=C2C(=C(C(=CN2C(=O)C(=C1)C(=O)O)F)N3CCNC(C3)C)F

InChI

InChI=1S/C17H19F2N3O3/c1-3-10-6-11(17(24)25)16(23)22-8-12(18)15(13(19)14(10)22)21-5-4-20-9(2)7-21/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)