7-(5-acetamido-1-methyl-1,3-dihydroisoindol-2-yl)-5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(5-acetamido-1-methyl-1,3-dihydroisoindol-2-yl)-5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(5-acetamido-1-methyl-isoindolin-2-yl)-5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(5-acetamido-1-methyl-1,3-dihydroisoindol-2-yl)-5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(5-acetamido-1-methyl-1,3-dihydroisoindol-2-yl)-5-amino-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(5-acetamido-1-methyl-isoindolin-2-yl)-5-amino-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C24H22F2N4O4 MolecularWeight: 468.452686

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CN1C3=C(C4=C(C(=C3F)N)C(=O)C(=CN4C5CC5)C(=O)O)F)C=C(C=C2)NC(=O)C

Isomeric SMILES

CC1C2=C(CN1C3=C(C4=C(C(=C3F)N)C(=O)C(=CN4C5CC5)C(=O)O)F)C=C(C=C2)NC(=O)C

InChI

InChI=1S/C24H22F2N4O4/c1-10-15-6-3-13(28-11(2)31)7-12(15)8-29(10)22-18(25)20(27)17-21(19(22)26)30(14-4-5-14)9-16(23(17)32)24(33)34/h3,6-7,9-10,14H,4-5,8,27H2,1-2H3,(H,28,31)(H,33,34)