3-[1-[2-(1,3-dihydroisoindol-2-yl)ethyl]piperidin-4-yl]-6-fluoranyl-1,2-benzoxazole dihydrochloride

Systemtic Name: 3-[1-[2-(1,3-dihydroisoindol-2-yl)ethyl]piperidin-4-yl]-6-fluoranyl-1,2-benzoxazole dihydrochloride Openeye Name: 6-fluoro-3-[1-(2-isoindolin-2-ylethyl)-4-piperidyl]-1,2-benzoxazole dihydrochloride CAS Name: 3-[1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-4-piperidinyl]-6-fluoro-1,2-benzoxazole dihydrochloride IUPAC Name: 3-[1-[2-(1,3-dihydroisoindol-2-yl)ethyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole dihydrochloride Traditional Name: 6-fluoro-3-[1-(2-isoindolin-2-ylethyl)-4-piperidyl]indoxazene dihydrochloride Formula: C22H26Cl2FN3O MolecularWeight: 438.365743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCN4CC5=CC=CC=C5C4.Cl.Cl

Isomeric SMILES

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCN4CC5=CC=CC=C5C4.Cl.Cl

InChI

InChI=1S/C22H24FN3O.2ClH/c23-19-5-6-20-21(13-19)27-24-22(20)16-7-9-25(10-8-16)11-12-26-14-17-3-1-2-4-18(17)15-26;;/h1-6,13,16H,7-12,14-15H2;2*1H