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

Systemtic Name: N-(2-cyanophenyl)-4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2-cyanophenyl)-4-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide CAS Name: N-(2-cyanophenyl)-4-[[5-(3-fluorophenyl)-2-benzofuranyl]methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-cyanophenyl)-4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(2-cyanophenyl)-4-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Formula: C28H25FN4O2 MolecularWeight: 468.522103

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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=CC(=CC=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C28H25FN4O2/c29-24-7-3-6-20(16-24)21-9-10-27-23(15-21)17-25(35-27)19-32-11-4-12-33(14-13-32)28(34)31-26-8-2-1-5-22(26)18-30/h1-3,5-10,15-17H,4,11-14,19H2,(H,31,34)