4-(azepan-1-ylmethyl)-2-methyl-N-(2-methylphenyl)-5-oxidanyl-1-benzofuran-3-carboxamide

Systemtic Name: 4-(azepan-1-ylmethyl)-2-methyl-N-(2-methylphenyl)-5-oxidanyl-1-benzofuran-3-carboxamide Openeye Name: 4-(azepan-1-ylmethyl)-5-hydroxy-2-methyl-N-(o-tolyl)benzofuran-3-carboxamide CAS Name: 4-(1-azepanylmethyl)-5-hydroxy-2-methyl-N-(2-methylphenyl)-3-benzofurancarboxamide IUPAC Name: 4-(azepan-1-ylmethyl)-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide Traditional Name: 4-(azepan-1-ylmethyl)-5-hydroxy-2-methyl-N-(o-tolyl)benzofuran-3-carboxamide Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(OC3=C2C(=C(C=C3)O)CN4CCCCCC4)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(OC3=C2C(=C(C=C3)O)CN4CCCCCC4)C

InChI

InChI=1S/C24H28N2O3/c1-16-9-5-6-10-19(16)25-24(28)22-17(2)29-21-12-11-20(27)18(23(21)22)15-26-13-7-3-4-8-14-26/h5-6,9-12,27H,3-4,7-8,13-15H2,1-2H3,(H,25,28)