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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-[2-cyclohexylethyl(methyl)amino]-2-propan-2-yl-pentanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-[2-cyclohexylethyl(methyl)amino]-2-isopropyl-pentanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-3-[2-cyclohexylethyl(methyl)amino]-2-propan-2-ylpentanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-[2-cyclohexylethyl(methyl)amino]-2-propan-2-ylpentanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-[2-cyclohexylethyl(methyl)amino]-2-isopropyl-valeronitrile Formula: C24H36N2O2 MolecularWeight: 384.55484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C#N)(C1=CC2=C(C=C1)OCO2)C(C)C)N(C)CCC3CCCCC3

Isomeric SMILES

CCC(C(C#N)(C1=CC2=C(C=C1)OCO2)C(C)C)N(C)CCC3CCCCC3

InChI

InChI=1S/C24H36N2O2/c1-5-23(26(4)14-13-19-9-7-6-8-10-19)24(16-25,18(2)3)20-11-12-21-22(15-20)28-17-27-21/h11-12,15,18-19,23H,5-10,13-14,17H2,1-4H3