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

Systemtic Name: 4-[2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]pyrrol-1-yl]benzenecarbonitrile Openeye Name: 4-[2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]pyrrol-1-yl]benzonitrile CAS Name: 4-[2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-1-pyrrolyl]benzonitrile IUPAC Name: 4-[2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]pyrrol-1-yl]benzonitrile Traditional Name: 4-[2-[(4-piperonylpiperazino)methyl]pyrrol-1-yl]benzonitrile Formula: C24H24N4O2 MolecularWeight: 400.47296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CC=CN4C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CC=CN4C5=CC=C(C=C5)C#N

InChI

InChI=1S/C24H24N4O2/c25-15-19-3-6-21(7-4-19)28-9-1-2-22(28)17-27-12-10-26(11-13-27)16-20-5-8-23-24(14-20)30-18-29-23/h1-9,14H,10-13,16-18H2