5,6,7-trimethoxy-2-piperazin-1-yl-4-[2-(trifluoromethyl)phenyl]phthalazin-1-one

Systemtic Name: 5,6,7-trimethoxy-2-piperazin-1-yl-4-[2-(trifluoromethyl)phenyl]phthalazin-1-one Openeye Name: 5,6,7-trimethoxy-2-piperazin-1-yl-4-[2-(trifluoromethyl)phenyl]phthalazin-1-one CAS Name: 5,6,7-trimethoxy-2-(1-piperazinyl)-4-[2-(trifluoromethyl)phenyl]-1-phthalazinone IUPAC Name: 5,6,7-trimethoxy-2-piperazin-1-yl-4-[2-(trifluoromethyl)phenyl]phthalazin-1-one Traditional Name: 5,6,7-trimethoxy-2-piperazino-4-[2-(trifluoromethyl)phenyl]phthalazin-1-one Formula: C22H23F3N4O4 MolecularWeight: 464.43763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C(=O)N(N=C2C3=CC=CC=C3C(F)(F)F)N4CCNCC4)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)C(=O)N(N=C2C3=CC=CC=C3C(F)(F)F)N4CCNCC4)OC)OC

InChI

InChI=1S/C22H23F3N4O4/c1-31-16-12-14-17(20(33-3)19(16)32-2)18(13-6-4-5-7-15(13)22(23,24)25)27-29(21(14)30)28-10-8-26-9-11-28/h4-7,12,26H,8-11H2,1-3H3