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

Systemtic Name: 4-[[4-(2-phenylbutanoyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-phenylbutanoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(1-oxo-2-phenylbutyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-phenylbutanoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-phenylbutanoyl)piperazino]methyl]benzonitrile Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O/c1-2-21(20-6-4-3-5-7-20)22(26)25-14-12-24(13-15-25)17-19-10-8-18(16-23)9-11-19/h3-11,21H,2,12-15,17H2,1H3