2-(3,4-dimethylphenoxy)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethylphenoxy)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone Openeye Name: 2-(3,4-dimethylphenoxy)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone CAS Name: 2-(3,4-dimethylphenoxy)-1-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]ethanone IUPAC Name: 2-(3,4-dimethylphenoxy)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone Traditional Name: 2-(3,4-dimethylphenoxy)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)N2CCCCCC2C3=CC=CN3C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)N2CCCCCC2C3=CC=CN3C)C

InChI

InChI=1S/C21H28N2O2/c1-16-10-11-18(14-17(16)2)25-15-21(24)23-13-6-4-5-8-20(23)19-9-7-12-22(19)3/h7,9-12,14,20H,4-6,8,13,15H2,1-3H3