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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCN2CC3=CC=CC(=C3C2)C4=NOC5=C4C=CC(=C5)F.Cl.Cl

Isomeric SMILES

C1CCN(CC1)CCN2CC3=CC=CC(=C3C2)C4=NOC5=C4C=CC(=C5)F.Cl.Cl

InChI

InChI=1S/C22H24FN3O.2ClH/c23-17-7-8-19-21(13-17)27-24-22(19)18-6-4-5-16-14-26(15-20(16)18)12-11-25-9-2-1-3-10-25;;/h4-8,13H,1-3,9-12,14-15H2;2*1H