N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)C2COC3=CC=CC=C3O2)N4CCCCCC4

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)C2COC3=CC=CC=C3O2)N4CCCCCC4

InChI

InChI=1S/C22H29N3O3/c1-24-12-8-9-17(24)18(25-13-6-2-3-7-14-25)15-23-22(26)21-16-27-19-10-4-5-11-20(19)28-21/h4-5,8-12,18,21H,2-3,6-7,13-16H2,1H3,(H,23,26)