4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[(4-veratrylpiperazino)methyl]benzonitrile Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=CC=C(C=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C21H25N3O2/c1-25-20-8-7-19(13-21(20)26-2)16-24-11-9-23(10-12-24)15-18-5-3-17(14-22)4-6-18/h3-8,13H,9-12,15-16H2,1-2H3