4-[[2-[4-(3-phenylpropanoyl)piperazin-1-yl]-1-(3-pyrrolidin-1-ylphenyl)ethoxy]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[4-(3-phenylpropanoyl)piperazin-1-yl]-1-(3-pyrrolidin-1-ylphenyl)ethoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[2-[4-(3-phenylpropanoyl)piperazin-1-yl]-1-(3-pyrrolidin-1-ylphenyl)ethoxy]methyl]benzonitrile CAS Name: 4-[[2-[4-(1-oxo-3-phenylpropyl)-1-piperazinyl]-1-[3-(1-pyrrolidinyl)phenyl]ethoxy]methyl]benzonitrile IUPAC Name: 4-[[2-[4-(3-phenylpropanoyl)piperazin-1-yl]-1-(3-pyrrolidin-1-ylphenyl)ethoxy]methyl]benzonitrile Traditional Name: 4-[[2-(4-hydrocinnamoylpiperazino)-1-(3-pyrrolidinophenyl)ethoxy]methyl]benzonitrile Formula: C33H38N4O2 MolecularWeight: 522.68042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=CC(=C2)C(CN3CCN(CC3)C(=O)CCC4=CC=CC=C4)OCC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CCN(C1)C2=CC=CC(=C2)C(CN3CCN(CC3)C(=O)CCC4=CC=CC=C4)OCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C33H38N4O2/c34-24-28-11-13-29(14-12-28)26-39-32(30-9-6-10-31(23-30)36-17-4-5-18-36)25-35-19-21-37(22-20-35)33(38)16-15-27-7-2-1-3-8-27/h1-3,6-14,23,32H,4-5,15-22,25-26H2