4-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(4-acetylphenyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-acetylphenyl)piperazino]methyl]benzonitrile Formula: C20H21N3O MolecularWeight: 319.40024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O/c1-16(24)19-6-8-20(9-7-19)23-12-10-22(11-13-23)15-18-4-2-17(14-21)3-5-18/h2-9H,10-13,15H2,1H3