2-(azepan-1-yl)-1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-(azepan-1-yl)-1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-(azepan-1-yl)-1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(1-azepanyl)-1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(azepan-1-yl)-1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(azepan-1-yl)-1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CN4CCCCCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CN4CCCCCC4

InChI

InChI=1S/C21H26N2O3/c1-15-11-18(19(24)13-22-9-5-3-4-6-10-22)16(2)23(15)17-7-8-20-21(12-17)26-14-25-20/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3