4-[[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[(4-piperonyloylpiperazino)methyl]benzonitrile Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19N3O3/c21-12-15-1-3-16(4-2-15)13-22-7-9-23(10-8-22)20(24)17-5-6-18-19(11-17)26-14-25-18/h1-6,11H,7-10,13-14H2