2-(1,3-benzodioxol-5-yl)-3-[bis(phenylmethyl)amino]-4-methyl-pentanenitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-[bis(phenylmethyl)amino]-4-methyl-pentanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-(dibenzylamino)-4-methyl-pentanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-3-[bis(phenylmethyl)amino]-4-methylpentanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-(dibenzylamino)-4-methylpentanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-(dibenzylamino)-4-methyl-valeronitrile Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C#N)C1=CC2=C(C=C1)OCO2)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(C#N)C1=CC2=C(C=C1)OCO2)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O2/c1-20(2)27(24(16-28)23-13-14-25-26(15-23)31-19-30-25)29(17-21-9-5-3-6-10-21)18-22-11-7-4-8-12-22/h3-15,20,24,27H,17-19H2,1-2H3