N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(p-tolyl)ethyl]-3,6-dimethyl-benzofuran-2-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(4-methylphenyl)ethyl]-3,6-dimethyl-2-benzofurancarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(p-tolyl)ethyl]-3,6-dimethyl-coumarilamide Formula: C26H32N2O2 MolecularWeight: 404.54448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=C(C3=C(O2)C=C(C=C3)C)C)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(CNC(=O)C2=C(C3=C(O2)C=C(C=C3)C)C)N4CCCCCC4

InChI

InChI=1S/C26H32N2O2/c1-18-8-11-21(12-9-18)23(28-14-6-4-5-7-15-28)17-27-26(29)25-20(3)22-13-10-19(2)16-24(22)30-25/h8-13,16,23H,4-7,14-15,17H2,1-3H3,(H,27,29)