(2S)-4-(1,3-benzodioxol-5-yl)-2-methyl-2-piperazin-1-yl-butanenitrile

Systemtic Name: (2S)-4-(1,3-benzodioxol-5-yl)-2-methyl-2-piperazin-1-yl-butanenitrile Openeye Name: (2S)-4-(1,3-benzodioxol-5-yl)-2-methyl-2-piperazin-1-yl-butanenitrile CAS Name: (2S)-4-(1,3-benzodioxol-5-yl)-2-methyl-2-(1-piperazinyl)butanenitrile IUPAC Name: (2S)-4-(1,3-benzodioxol-5-yl)-2-methyl-2-piperazin-1-ylbutanenitrile Traditional Name: (2S)-4-(1,3-benzodioxol-5-yl)-2-methyl-2-piperazino-butyronitrile Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)(C#N)N3CCNCC3

Isomeric SMILES

C[C@](CCC1=CC2=C(C=C1)OCO2)(C#N)N3CCNCC3

InChI

InChI=1S/C16H21N3O2/c1-16(11-17,19-8-6-18-7-9-19)5-4-13-2-3-14-15(10-13)21-12-20-14/h2-3,10,18H,4-9,12H2,1H3/t16-/m0/s1