N-(2-cyanophenyl)-4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carboxamide

Systemtic Name: N-(2-cyanophenyl)-4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carboxamide Openeye Name: N-(2-cyanophenyl)-4-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]piperazine-1-carboxamide CAS Name: N-(2-cyanophenyl)-4-[[5-(2-methoxyphenyl)-2-benzofuranyl]methyl]-1-piperazinecarboxamide IUPAC Name: N-(2-cyanophenyl)-4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carboxamide Traditional Name: N-(2-cyanophenyl)-4-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]piperazine-1-carboxamide Formula: C28H26N4O3 MolecularWeight: 466.53104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC3=C(C=C2)OC(=C3)CN4CCN(CC4)C(=O)NC5=CC=CC=C5C#N

Isomeric SMILES

COC1=CC=CC=C1C2=CC3=C(C=C2)OC(=C3)CN4CCN(CC4)C(=O)NC5=CC=CC=C5C#N

InChI

InChI=1S/C28H26N4O3/c1-34-27-9-5-3-7-24(27)20-10-11-26-22(16-20)17-23(35-26)19-31-12-14-32(15-13-31)28(33)30-25-8-4-2-6-21(25)18-29/h2-11,16-17H,12-15,19H2,1H3,(H,30,33)