4-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-methoxy-5-methyl-benzyl)piperazino]methyl]benzonitrile Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H25N3O/c1-17-3-8-21(25-2)20(13-17)16-24-11-9-23(10-12-24)15-19-6-4-18(14-22)5-7-19/h3-8,13H,9-12,15-16H2,1-2H3