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

Systemtic Name: 4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-N-thiophen-2-yl-1,4-diazepane-1-carboxamide Openeye Name: 4-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]-N-(2-thienyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[[5-(3-fluorophenyl)-2-benzofuranyl]methyl]-N-thiophen-2-yl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-N-thiophen-2-yl-1,4-diazepane-1-carboxamide Traditional Name: 4-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]-N-(2-thienyl)-1,4-diazepane-1-carboxamide Formula: C25H24FN3O2S MolecularWeight: 449.540363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CS2)CC3=CC4=C(O3)C=CC(=C4)C5=CC(=CC=C5)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CS2)CC3=CC4=C(O3)C=CC(=C4)C5=CC(=CC=C5)F

InChI

InChI=1S/C25H24FN3O2S/c26-21-5-1-4-18(15-21)19-7-8-23-20(14-19)16-22(31-23)17-28-9-3-10-29(12-11-28)25(30)27-24-6-2-13-32-24/h1-2,4-8,13-16H,3,9-12,17H2,(H,27,30)