8-(4-azanyl-1,3-dihydroisoindol-2-yl)-1-cyclopropyl-7-fluoranyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 8-(4-azanyl-1,3-dihydroisoindol-2-yl)-1-cyclopropyl-7-fluoranyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 8-(4-aminoisoindolin-2-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 8-(4-amino-1,3-dihydroisoindol-2-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 8-(4-amino-1,3-dihydroisoindol-2-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid Traditional Name: 8-(4-aminoisoindolin-2-yl)-1-cyclopropyl-7-fluoro-4-keto-9-methyl-quinolizine-3-carboxylic acid Formula: C22H20FN3O3 MolecularWeight: 393.410903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC5=C(C4)C(=CC=C5)N

Isomeric SMILES

CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC5=C(C4)C(=CC=C5)N

InChI

InChI=1S/C22H20FN3O3/c1-11-19-14(12-5-6-12)7-15(22(28)29)21(27)26(19)10-17(23)20(11)25-8-13-3-2-4-18(24)16(13)9-25/h2-4,7,10,12H,5-6,8-9,24H2,1H3,(H,28,29)