7-(4-azanyl-1,3-dihydroisoindol-2-yl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(4-azanyl-1,3-dihydroisoindol-2-yl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-aminoisoindolin-2-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(4-amino-1,3-dihydroisoindol-2-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(4-amino-1,3-dihydroisoindol-2-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-aminoisoindolin-2-yl)-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H17F2N3O3 MolecularWeight: 397.374786

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CC5=C(C4)C(=CC=C5)N)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CC5=C(C4)C(=CC=C5)N)F)C(=O)O

InChI

InChI=1S/C21H17F2N3O3/c22-15-6-12-18(26(11-4-5-11)9-14(20(12)27)21(28)29)17(23)19(15)25-7-10-2-1-3-16(24)13(10)8-25/h1-3,6,9,11H,4-5,7-8,24H2,(H,28,29)