N-(2-cyanophenyl)-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-cyanophenyl)-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2-cyanophenyl)-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide CAS Name: N-(2-cyanophenyl)-4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-cyanophenyl)-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(2-cyanophenyl)-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Formula: C26H24N4O2S MolecularWeight: 456.55936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2C#N)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2C#N)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5

InChI

InChI=1S/C26H24N4O2S/c27-16-20-4-1-2-5-24(20)28-26(31)30-10-3-9-29(11-12-30)17-23-15-22-14-19(6-7-25(22)32-23)21-8-13-33-18-21/h1-2,4-8,13-15,18H,3,9-12,17H2,(H,28,31)