1-cyclopropyl-7-[2-(dimethylaminomethyl)-6-methyl-pyridin-4-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-[2-(dimethylaminomethyl)-6-methyl-pyridin-4-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[2-(dimethylaminomethyl)-6-methyl-4-pyridyl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[2-(dimethylaminomethyl)-6-methyl-4-pyridinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[2-(dimethylaminomethyl)-6-methylpyridin-4-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[2-(dimethylaminomethyl)-6-methyl-4-pyridyl]-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)CN(C)C

Isomeric SMILES

CC1=NC(=CC(=C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)CN(C)C

InChI

InChI=1S/C22H22FN3O3/c1-12-6-13(7-14(24-12)10-25(2)3)16-9-20-17(8-19(16)23)21(27)18(22(28)29)11-26(20)15-4-5-15/h6-9,11,15H,4-5,10H2,1-3H3,(H,28,29)