3-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(2,6-dimethylphenyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(2,6-dimethylphenyl)piperazino]methyl]benzonitrile Formula: C20H23N3 MolecularWeight: 305.41672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2CCN(CC2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2CCN(CC2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H23N3/c1-16-5-3-6-17(2)20(16)23-11-9-22(10-12-23)15-19-8-4-7-18(13-19)14-21/h3-8,13H,9-12,15H2,1-2H3