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

Systemtic Name: 4-[[4-(3-phenylbutanoyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-phenylbutanoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(1-oxo-3-phenylbutyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-phenylbutanoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-phenylbutanoyl)piperazino]methyl]benzonitrile Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C#N)C3=CC=CC=C3

InChI

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