7-[(5-bromanylpyridin-2-yl)-(pyridin-4-ylmethyl)amino]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(5-bromanylpyridin-2-yl)-(pyridin-4-ylmethyl)amino]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(5-bromo-2-pyridyl)-(4-pyridylmethyl)amino]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(5-bromo-2-pyridinyl)-(pyridin-4-ylmethyl)amino]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(5-bromopyridin-2-yl)-(pyridin-4-ylmethyl)amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(5-bromo-2-pyridyl)-(4-pyridylmethyl)amino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C24H18BrFN4O3 MolecularWeight: 509.327123

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N(CC4=CC=NC=C4)C5=NC=C(C=C5)Br)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N(CC4=CC=NC=C4)C5=NC=C(C=C5)Br)F)C(=O)O

InChI

InChI=1S/C24H18BrFN4O3/c25-15-1-4-22(28-11-15)30(12-14-5-7-27-8-6-14)21-10-20-17(9-19(21)26)23(31)18(24(32)33)13-29(20)16-2-3-16/h1,4-11,13,16H,2-3,12H2,(H,32,33)