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

Systemtic Name: 4-[[4-(2-phenoxyethanoyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-phenoxyacetyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(1-oxo-2-phenoxyethyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-phenoxyacetyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-phenoxyacetyl)piperazino]methyl]benzonitrile Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)COC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2/c21-14-17-6-8-18(9-7-17)15-22-10-12-23(13-11-22)20(24)16-25-19-4-2-1-3-5-19/h1-9H,10-13,15-16H2