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

Systemtic Name: 3-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[[5-(2-methoxyphenyl)-2-benzofuranyl]methyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]piperazine-1-carbonyl]benzonitrile Formula: C28H25N3O3 MolecularWeight: 451.5164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC3=C(C=C2)OC(=C3)CN4CCN(CC4)C(=O)C5=CC=CC(=C5)C#N

Isomeric SMILES

COC1=CC=CC=C1C2=CC3=C(C=C2)OC(=C3)CN4CCN(CC4)C(=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C28H25N3O3/c1-33-27-8-3-2-7-25(27)21-9-10-26-23(16-21)17-24(34-26)19-30-11-13-31(14-12-30)28(32)22-6-4-5-20(15-22)18-29/h2-10,15-17H,11-14,19H2,1H3