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

Systemtic Name: (2R)-3-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2-methyl-propanenitrile Openeye Name: (2R)-3-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-methyl-propanenitrile CAS Name: (2R)-3-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-2-methylpropanenitrile IUPAC Name: (2R)-3-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-methylpropanenitrile Traditional Name: (2R)-2-methyl-3-(4-piperonyloylpiperazino)propionitrile Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3/c1-12(9-17)10-18-4-6-19(7-5-18)16(20)13-2-3-14-15(8-13)22-11-21-14/h2-3,8,12H,4-7,10-11H2,1H3/t12-/m0/s1