2-[4-(1,3-benzodioxol-4-ylmethyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-(1,3-benzodioxol-4-ylmethyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(1,3-benzodioxol-4-ylmethyl)piperazin-1-yl]benzonitrile CAS Name: 2-[4-(1,3-benzodioxol-4-ylmethyl)-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-(1,3-benzodioxol-4-ylmethyl)piperazin-1-yl]benzonitrile Traditional Name: 2-[4-(1,3-benzodioxol-4-ylmethyl)piperazino]benzonitrile Formula: C19H19N3O2 MolecularWeight: 321.37306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C3C(=CC=C2)OCO3)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1CC2=C3C(=CC=C2)OCO3)C4=CC=CC=C4C#N

InChI

InChI=1S/C19H19N3O2/c20-12-15-4-1-2-6-17(15)22-10-8-21(9-11-22)13-16-5-3-7-18-19(16)24-14-23-18/h1-7H,8-11,13-14H2