3-[2-(1,3-benzodioxol-5-yl)ethyl-methyl-amino]-2-(3,5-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)ethyl-methyl-amino]-2-(3,5-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)ethyl-methyl-amino]-2-(3,5-dimethoxyphenyl)-2-isopropyl-pentanenitrile CAS Name: 3-[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]-2-(3,5-dimethoxyphenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]-2-(3,5-dimethoxyphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 2-(3,5-dimethoxyphenyl)-3-[homopiperonyl(methyl)amino]-2-isopropyl-valeronitrile Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C#N)(C1=CC(=CC(=C1)OC)OC)C(C)C)N(C)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC(C(C#N)(C1=CC(=CC(=C1)OC)OC)C(C)C)N(C)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C26H34N2O4/c1-7-25(28(4)11-10-19-8-9-23-24(12-19)32-17-31-23)26(16-27,18(2)3)20-13-21(29-5)15-22(14-20)30-6/h8-9,12-15,18,25H,7,10-11,17H2,1-6H3