1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-phthalazin-1-yloxy-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-phthalazin-1-yloxy-ethanone Openeye Name: 1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-phthalazin-1-yloxy-ethanone CAS Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-(1-phthalazinyloxy)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-phthalazin-1-yloxyethanone Traditional Name: 1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-phthalazin-1-yloxy-ethanone Formula: C21H19N3O2S MolecularWeight: 377.45946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC3=NN=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC3=NN=CC4=CC=CC=C43

InChI

InChI=1S/C21H19N3O2S/c1-14-10-19(15(2)24(14)12-17-7-5-9-27-17)20(25)13-26-21-18-8-4-3-6-16(18)11-22-23-21/h3-11H,12-13H2,1-2H3