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

Systemtic Name: 4-[[2-[4-(2-phenylethanoyl)piperazin-1-yl]-1-(3-pyrrolidin-1-ylphenyl)ethoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[2-[4-(2-phenylacetyl)piperazin-1-yl]-1-(3-pyrrolidin-1-ylphenyl)ethoxy]methyl]benzonitrile CAS Name: 4-[[2-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]-1-[3-(1-pyrrolidinyl)phenyl]ethoxy]methyl]benzonitrile IUPAC Name: 4-[[2-[4-(2-phenylacetyl)piperazin-1-yl]-1-(3-pyrrolidin-1-ylphenyl)ethoxy]methyl]benzonitrile Traditional Name: 4-[[2-[4-(2-phenylacetyl)piperazino]-1-(3-pyrrolidinophenyl)ethoxy]methyl]benzonitrile Formula: C32H36N4O2 MolecularWeight: 508.65384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=CC(=C2)C(CN3CCN(CC3)C(=O)CC4=CC=CC=C4)OCC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CCN(C1)C2=CC=CC(=C2)C(CN3CCN(CC3)C(=O)CC4=CC=CC=C4)OCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C32H36N4O2/c33-23-27-11-13-28(14-12-27)25-38-31(29-9-6-10-30(22-29)35-15-4-5-16-35)24-34-17-19-36(20-18-34)32(37)21-26-7-2-1-3-8-26/h1-3,6-14,22,31H,4-5,15-21,24-25H2