3-[(6-fluoranyl-1,2-benzoxazol-3-yl)methyl]-2-methyl-3-piperidin-4-yl-isoindol-1-one hydrochloride

Systemtic Name: 3-[(6-fluoranyl-1,2-benzoxazol-3-yl)methyl]-2-methyl-3-piperidin-4-yl-isoindol-1-one hydrochloride Openeye Name: 3-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]-2-methyl-3-(4-piperidyl)isoindolin-1-one hydrochloride CAS Name: 3-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]-2-methyl-3-(4-piperidinyl)-1-isoindolone hydrochloride IUPAC Name: 3-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]-2-methyl-3-piperidin-4-ylisoindol-1-one hydrochloride Traditional Name: 3-[(6-fluoroindoxazen-3-yl)methyl]-2-methyl-3-(4-piperidyl)isoindolin-1-one hydrochloride Formula: C22H23ClFN3O2 MolecularWeight: 415.888323

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C1(CC3=NOC4=C3C=CC(=C4)F)C5CCNCC5.Cl

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C1(CC3=NOC4=C3C=CC(=C4)F)C5CCNCC5.Cl

InChI

InChI=1S/C22H22FN3O2.ClH/c1-26-21(27)16-4-2-3-5-18(16)22(26,14-8-10-24-11-9-14)13-19-17-7-6-15(23)12-20(17)28-25-19;/h2-7,12,14,24H,8-11,13H2,1H3;1H