5-bromanyl-N-[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

Systemtic Name: 5-bromanyl-N-[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide Openeye Name: N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-5-bromo-2,3-dihydrobenzofuran-7-carboxamide CAS Name: 5-bromo-N-[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl]-2,3-dihydrobenzofuran-7-carboxamide IUPAC Name: N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-5-bromo-2,3-dihydro-1-benzofuran-7-carboxamide Traditional Name: N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-5-bromo-coumaran-7-carboxamide Formula: C22H26BrN3O2 MolecularWeight: 444.36474

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC(C1)NC(=O)C2=CC(=CC3=C2OCC3)Br)CC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC(C1)NC(=O)C2=CC(=CC3=C2OCC3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C22H26BrN3O2/c1-25-8-9-26(13-16-5-3-2-4-6-16)15-19(14-25)24-22(27)20-12-18(23)11-17-7-10-28-21(17)20/h2-6,11-12,19H,7-10,13-15H2,1H3,(H,24,27)