3-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(4,5-dimethoxy-2-methyl-benzyl)piperazino]methyl]benzonitrile Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCN(CC2)CC3=CC=CC(=C3)C#N)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCN(CC2)CC3=CC=CC(=C3)C#N)OC)OC

InChI

InChI=1S/C22H27N3O2/c1-17-11-21(26-2)22(27-3)13-20(17)16-25-9-7-24(8-10-25)15-19-6-4-5-18(12-19)14-23/h4-6,11-13H,7-10,15-16H2,1-3H3