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

Systemtic Name: 2-[4-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-(4-acetylphenyl)-1-piperazinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[4-(4-acetylphenyl)piperazino]methyl]phenyl]benzonitrile Formula: C26H25N3O MolecularWeight: 395.4962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C26H25N3O/c1-20(30)22-10-12-25(13-11-22)29-16-14-28(15-17-29)19-21-6-8-23(9-7-21)26-5-3-2-4-24(26)18-27/h2-13H,14-17,19H2,1H3