(2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methyl-propanenitrile

Systemtic Name: (2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methyl-propanenitrile Openeye Name: (2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methyl-propanenitrile CAS Name: (2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-methylpropanenitrile IUPAC Name: (2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methylpropanenitrile Traditional Name: (2R)-2-methyl-3-(4-piperonylpiperazino)propionitrile Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)CC2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

C[C@H](CN1CCN(CC1)CC2=CC3=C(C=C2)OCO3)C#N

InChI

InChI=1S/C16H21N3O2/c1-13(9-17)10-18-4-6-19(7-5-18)11-14-2-3-15-16(8-14)21-12-20-15/h2-3,8,13H,4-7,10-12H2,1H3/t13-/m0/s1