7-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[5-(aminomethyl)isoindolin-2-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[5-(aminomethyl)isoindolin-2-yl]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H20FN3O3 MolecularWeight: 393.410903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CC5=C(C4)C=C(C=C5)CN)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CC5=C(C4)C=C(C=C5)CN)F)C(=O)O

InChI

InChI=1S/C22H20FN3O3/c23-18-6-16-19(26(15-3-4-15)11-17(21(16)27)22(28)29)7-20(18)25-9-13-2-1-12(8-24)5-14(13)10-25/h1-2,5-7,11,15H,3-4,8-10,24H2,(H,28,29)