3-[1-(1,3-benzodioxol-5-yl)-3-[methyl-(phenylmethyl)amino]propoxy]benzenecarbonitrile

Systemtic Name: 3-[1-(1,3-benzodioxol-5-yl)-3-[methyl-(phenylmethyl)amino]propoxy]benzenecarbonitrile Openeye Name: 3-[1-(1,3-benzodioxol-5-yl)-3-[benzyl(methyl)amino]propoxy]benzonitrile CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-3-[methyl-(phenylmethyl)amino]propoxy]benzonitrile IUPAC Name: 3-[1-(1,3-benzodioxol-5-yl)-3-[benzyl(methyl)amino]propoxy]benzonitrile Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)-3-[benzyl(methyl)amino]propoxy]benzonitrile Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(C1=CC2=C(C=C1)OCO2)OC3=CC=CC(=C3)C#N)CC4=CC=CC=C4

Isomeric SMILES

CN(CCC(C1=CC2=C(C=C1)OCO2)OC3=CC=CC(=C3)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O3/c1-27(17-19-6-3-2-4-7-19)13-12-23(30-22-9-5-8-20(14-22)16-26)21-10-11-24-25(15-21)29-18-28-24/h2-11,14-15,23H,12-13,17-18H2,1H3