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

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(benzotriazol-1-yl)ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(benzotriazol-1-yl)ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-(1-benzotriazolyl)ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(benzotriazol-1-yl)ethanone Traditional Name: 2-(benzotriazol-1-yl)-1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)ethanone Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H20N4O3/c1-14-9-17(20(27)12-26-19-6-4-3-5-18(19)23-24-26)15(2)25(14)11-16-7-8-21-22(10-16)29-13-28-21/h3-10H,11-13H2,1-2H3