1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(3-pyrimidin-4-ylpyrrolidin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(3-pyrimidin-4-ylpyrrolidin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-(3-pyrimidin-4-ylpyrrolidin-1-yl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-[3-(4-pyrimidinyl)-1-pyrrolidinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-(3-pyrimidin-4-ylpyrrolidin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-7-[3-(4-pyrimidyl)pyrrolidino]quinoline-3-carboxylic acid Formula: C21H18F2N4O3 MolecularWeight: 412.389426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCC(C4)C5=NC=NC=C5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCC(C4)C5=NC=NC=C5)F)C(=O)O

InChI

InChI=1S/C21H18F2N4O3/c22-15-7-13-18(27(12-1-2-12)9-14(20(13)28)21(29)30)17(23)19(15)26-6-4-11(8-26)16-3-5-24-10-25-16/h3,5,7,9-12H,1-2,4,6,8H2,(H,29,30)