3-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl]-1,2,3-benzotriazin-4-one Formula: C23H22N4O2 MolecularWeight: 386.44638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C23H22N4O2/c1-16-14-20(17(2)26(16)13-12-18-8-4-3-5-9-18)22(28)15-27-23(29)19-10-6-7-11-21(19)24-25-27/h3-11,14H,12-13,15H2,1-2H3