2-[(3R)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-3-yl]-2,2-diphenyl-ethanenitrile

Systemtic Name: 2-[(3R)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-3-yl]-2,2-diphenyl-ethanenitrile Openeye Name: 2-[(3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-piperidyl]-2,2-diphenyl-acetonitrile CAS Name: 2-[(3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-piperidinyl]-2,2-diphenylacetonitrile IUPAC Name: 2-[(3R)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-3-yl]-2,2-diphenylacetonitrile Traditional Name: 2,2-diphenyl-2-[(3R)-1-piperonyl-3-piperidyl]acetonitrile Formula: C27H26N2O2 MolecularWeight: 410.50754

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC3=C(C=C2)OCO3)C(C#N)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CC3=C(C=C2)OCO3)C(C#N)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N2O2/c28-19-27(22-8-3-1-4-9-22,23-10-5-2-6-11-23)24-12-7-15-29(18-24)17-21-13-14-25-26(16-21)31-20-30-25/h1-6,8-11,13-14,16,24H,7,12,15,17-18,20H2/t24-/m0/s1