4-[[4-[[3-(phenoxymethyl)-1-benzofuran-2-yl]carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[[3-(phenoxymethyl)-1-benzofuran-2-yl]carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-(phenoxymethyl)benzofuran-2-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[3-(phenoxymethyl)-2-benzofuranyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-(phenoxymethyl)-1-benzofuran-2-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-(phenoxymethyl)benzofuran-2-carbonyl]piperazino]methyl]benzonitrile Formula: C28H25N3O3 MolecularWeight: 451.5164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5

InChI

InChI=1S/C28H25N3O3/c29-18-21-10-12-22(13-11-21)19-30-14-16-31(17-15-30)28(32)27-25(20-33-23-6-2-1-3-7-23)24-8-4-5-9-26(24)34-27/h1-13H,14-17,19-20H2