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

Systemtic Name: 4-[[4-[2-(4-propanoylphenoxy)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[1-oxo-2-[4-(1-oxopropyl)phenoxy]ethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(4-propionylphenoxy)acetyl]piperazino]methyl]benzonitrile Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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