3-[4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[[5-(p-tolyl)benzofuran-2-yl]methyl]piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[[5-(4-methylphenyl)-2-benzofuranyl]methyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[[5-(p-tolyl)benzofuran-2-yl]methyl]piperazine-1-carbonyl]benzonitrile Formula: C28H25N3O2 MolecularWeight: 435.517

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCN(CC4)C(=O)C5=CC=CC(=C5)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCN(CC4)C(=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C28H25N3O2/c1-20-5-7-22(8-6-20)23-9-10-27-25(16-23)17-26(33-27)19-30-11-13-31(14-12-30)28(32)24-4-2-3-21(15-24)18-29/h2-10,15-17H,11-14,19H2,1H3