7-(4-azanyl-7-cyclopropyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-1-cyclopropyl-6,7-bis(fluoranyl)-4-oxidanylidene-4aH-quinoline-3-carboxylic acid

Systemtic Name: 7-(4-azanyl-7-cyclopropyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-1-cyclopropyl-6,7-bis(fluoranyl)-4-oxidanylidene-4aH-quinoline-3-carboxylic acid Openeye Name: 7-(4-amino-7-cyclopropyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-1-cyclopropyl-6,7-difluoro-4-oxo-4aH-quinoline-3-carboxylic acid CAS Name: 7-(4-amino-7-cyclopropyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-1-cyclopropyl-6,7-difluoro-4-oxo-4aH-quinoline-3-carboxylic acid IUPAC Name: 7-(4-amino-7-cyclopropyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-1-cyclopropyl-6,7-difluoro-4-oxo-4aH-quinoline-3-carboxylic acid Traditional Name: 7-(4-amino-7-cyclopropyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-1-cyclopropyl-6,7-difluoro-4-keto-4aH-quinoline-3-carboxylic acid Formula: C24H27F2N3O3 MolecularWeight: 443.486286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2C=CC(C3C2CN(C3)C4(C=C5C(C=C4F)C(=O)C(=CN5C6CC6)C(=O)O)F)N

Isomeric SMILES

C1CC1C2C=CC(C3C2CN(C3)C4(C=C5C(C=C4F)C(=O)C(=CN5C6CC6)C(=O)O)F)N

InChI

InChI=1S/C24H27F2N3O3/c25-21-7-15-20(29(13-3-4-13)11-18(22(15)30)23(31)32)8-24(21,26)28-9-16-14(12-1-2-12)5-6-19(27)17(16)10-28/h5-8,11-17,19H,1-4,9-10,27H2,(H,31,32)