2-(7a-azanyl-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl)-1-cyclopropyl-7-fluoranyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 2-(7a-azanyl-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl)-1-cyclopropyl-7-fluoranyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 2-(7a-amino-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 2-(7a-amino-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 2-(7a-amino-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid Traditional Name: 2-(7a-amino-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl)-1-cyclopropyl-7-fluoro-4-keto-9-methyl-quinolizine-3-carboxylic acid Formula: C22H26FN3O3 MolecularWeight: 399.458543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN2C1=C(C(=C(C2=O)C(=O)O)N3CC4CCCCC4(C3)N)C5CC5)F

Isomeric SMILES

CC1=CC(=CN2C1=C(C(=C(C2=O)C(=O)O)N3CC4CCCCC4(C3)N)C5CC5)F

InChI

InChI=1S/C22H26FN3O3/c1-12-8-15(23)10-26-18(12)16(13-5-6-13)19(17(20(26)27)21(28)29)25-9-14-4-2-3-7-22(14,24)11-25/h8,10,13-14H,2-7,9,11,24H2,1H3,(H,28,29)