1-cyclopropyl-7-[[(3,5-dimethylpyridin-2-yl)amino]methyl]-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-[[(3,5-dimethylpyridin-2-yl)amino]methyl]-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[[(3,5-dimethyl-2-pyridyl)amino]methyl]-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[[(3,5-dimethyl-2-pyridinyl)amino]methyl]-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[[(3,5-dimethylpyridin-2-yl)amino]methyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[[(3,5-dimethyl-2-pyridyl)amino]methyl]-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H19F2N3O3 MolecularWeight: 399.390666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N=C1)NCC2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F)C

Isomeric SMILES

CC1=CC(=C(N=C1)NCC2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F)C

InChI

InChI=1S/C21H19F2N3O3/c1-10-5-11(2)20(24-7-10)25-8-14-16(22)6-13-18(17(14)23)26(12-3-4-12)9-15(19(13)27)21(28)29/h5-7,9,12H,3-4,8H2,1-2H3,(H,24,25)(H,28,29)