2-[6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-oxidanylidene-pyran-3-yl]oxyethanenitrile

Systemtic Name: 2-[6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-oxidanylidene-pyran-3-yl]oxyethanenitrile Openeye Name: 2-[6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-oxo-pyran-3-yl]oxyacetonitrile CAS Name: 2-[[6-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-4-oxo-3-pyranyl]oxy]acetonitrile IUPAC Name: 2-[6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetonitrile Traditional Name: 2-[6-[[4-(3-chlorophenyl)piperazino]methyl]-4-keto-pyran-3-yl]oxyacetonitrile Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)C(=CO2)OCC#N)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)C(=CO2)OCC#N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H18ClN3O3/c19-14-2-1-3-15(10-14)22-7-5-21(6-8-22)12-16-11-17(23)18(13-25-16)24-9-4-20/h1-3,10-11,13H,5-9,12H2