4-[[4-[2-(5-ethanoyl-2-methoxy-phenyl)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(5-ethanoyl-2-methoxy-phenyl)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(5-acetyl-2-methoxy-phenyl)acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(5-acetyl-2-methoxyphenyl)-1-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(5-acetyl-2-methoxy-phenyl)acetyl]piperazino]methyl]benzonitrile Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3/c1-17(27)20-7-8-22(29-2)21(13-20)14-23(28)26-11-9-25(10-12-26)16-19-5-3-18(15-24)4-6-19/h3-8,13H,9-12,14,16H2,1-2H3