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

Systemtic Name: 2-(benzotriazol-1-yl)-1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]ethanone Openeye Name: 2-(benzotriazol-1-yl)-1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-(1-benzotriazolyl)-1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]ethanone IUPAC Name: 2-(benzotriazol-1-yl)-1-(1-benzyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-(benzotriazol-1-yl)-1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C21H20N4O MolecularWeight: 344.4097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H20N4O/c1-15-12-18(16(2)24(15)13-17-8-4-3-5-9-17)21(26)14-25-20-11-7-6-10-19(20)22-23-25/h3-12H,13-14H2,1-2H3