7-[4,7-bis(fluoranyl)-2,3-dihydro-1H-isoindol-5-yl]-1-cyclopropyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4,7-bis(fluoranyl)-2,3-dihydro-1H-isoindol-5-yl]-1-cyclopropyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(4,7-difluoroisoindolin-5-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(4,7-difluoro-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(4,7-difluoro-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(4,7-difluoroisoindolin-5-yl)-4-keto-quinoline-3-carboxylic acid Formula: C21H16F2N2O3 MolecularWeight: 382.360146

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C=C(C=C3)C4=CC(=C5CNCC5=C4F)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C=C(C=C3)C4=CC(=C5CNCC5=C4F)F)C(=O)O

InChI

InChI=1S/C21H16F2N2O3/c22-17-6-13(19(23)15-8-24-7-14(15)17)10-1-4-12-18(5-10)25(11-2-3-11)9-16(20(12)26)21(27)28/h1,4-6,9,11,24H,2-3,7-8H2,(H,27,28)