2-(azepan-1-yl)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-(azepan-1-yl)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-(azepan-1-yl)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(1-azepanyl)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(azepan-1-yl)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(azepan-1-yl)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)C(=O)CN4CCCCCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)C(=O)CN4CCCCCC4

InChI

InChI=1S/C22H28N2O3/c1-16-13-19(20(25)15-23-9-5-3-4-6-10-23)17(2)24(16)18-7-8-21-22(14-18)27-12-11-26-21/h7-8,13-14H,3-6,9-12,15H2,1-2H3