5-[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[2-(1,3-benzodioxol-4-yl)ethyl]-1-piperidyl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-[2-(1,3-benzodioxol-4-yl)ethyl]-1-piperidinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidino]-2-isopropyl-2-phenyl-valeronitrile Formula: C28H36N2O2 MolecularWeight: 432.59764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCC(CC1)CCC2=C3C(=CC=C2)OCO3)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CCCN1CCC(CC1)CCC2=C3C(=CC=C2)OCO3)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C28H36N2O2/c1-22(2)28(20-29,25-9-4-3-5-10-25)16-7-17-30-18-14-23(15-19-30)12-13-24-8-6-11-26-27(24)32-21-31-26/h3-6,8-11,22-23H,7,12-19,21H2,1-2H3