1-ethenyl-6,8-bis(fluoranyl)-5-methyl-7-(3-methylpiperazin-1-yl)-4H-quinoline-3-carboxylic acid

Systemtic Name: 1-ethenyl-6,8-bis(fluoranyl)-5-methyl-7-(3-methylpiperazin-1-yl)-4H-quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-5-methyl-7-(3-methylpiperazin-1-yl)-1-vinyl-4H-quinoline-3-carboxylic acid CAS Name: 1-ethenyl-6,8-difluoro-5-methyl-7-(3-methyl-1-piperazinyl)-4H-quinoline-3-carboxylic acid IUPAC Name: 1-ethenyl-6,8-difluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4H-quinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-5-methyl-7-(3-methylpiperazino)-1-vinyl-4H-quinoline-3-carboxylic acid Formula: C18H21F2N3O2 MolecularWeight: 349.375046

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C(=C3CC(=CN(C3=C2F)C=C)C(=O)O)C)F

Isomeric SMILES

CC1CN(CCN1)C2=C(C(=C3CC(=CN(C3=C2F)C=C)C(=O)O)C)F

InChI

InChI=1S/C18H21F2N3O2/c1-4-22-9-12(18(24)25)7-13-11(3)14(19)17(15(20)16(13)22)23-6-5-21-10(2)8-23/h4,9-10,21H,1,5-8H2,2-3H3,(H,24,25)