7-(7a-azanyl-3,3a-dihydro-1H-isoindol-2-yl)-1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(7a-azanyl-3,3a-dihydro-1H-isoindol-2-yl)-1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-1-cyclopropyl-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C22H22FN3O3 MolecularWeight: 395.426783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CC4C=CC=CC4(C3)N)F)C(=O)C(=CN2C5CC5)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CC4C=CC=CC4(C3)N)F)C(=O)C(=CN2C5CC5)C(=O)O

InChI

InChI=1S/C22H22FN3O3/c1-12-18-15(20(27)16(21(28)29)10-26(18)14-5-6-14)8-17(23)19(12)25-9-13-4-2-3-7-22(13,24)11-25/h2-4,7-8,10,13-14H,5-6,9,11,24H2,1H3,(H,28,29)