4-[(5-chloranyl-1-benzofuran-2-yl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[(5-chloranyl-1-benzofuran-2-yl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[(5-chlorobenzofuran-2-yl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(5-chloro-2-benzofuranyl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(5-chloro-1-benzofuran-2-yl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[(5-chlorobenzofuran-2-yl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

COC1=CC=CC=C1NC(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C22H24ClN3O3/c1-28-21-6-3-2-5-19(21)24-22(27)26-10-4-9-25(11-12-26)15-18-14-16-13-17(23)7-8-20(16)29-18/h2-3,5-8,13-14H,4,9-12,15H2,1H3,(H,24,27)