4-[[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-(p-tolyl)propanoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[3-(4-methylphenyl)-1-oxopropyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-(p-tolyl)propanoyl]piperazino]methyl]benzonitrile Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O/c1-18-2-4-19(5-3-18)10-11-22(26)25-14-12-24(13-15-25)17-21-8-6-20(16-23)7-9-21/h2-9H,10-15,17H2,1H3