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

Systemtic Name: N-(2-cyanophenyl)-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2-cyanophenyl)-4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide CAS Name: N-(2-cyanophenyl)-4-[[5-(3-pyridinyl)-2-benzofuranyl]methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-cyanophenyl)-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(2-cyanophenyl)-4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Formula: C27H25N5O2 MolecularWeight: 451.5197

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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=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H25N5O2/c28-17-21-5-1-2-7-25(21)30-27(33)32-12-4-11-31(13-14-32)19-24-16-23-15-20(8-9-26(23)34-24)22-6-3-10-29-18-22/h1-3,5-10,15-16,18H,4,11-14,19H2,(H,30,33)