4-[2-oxidanylidene-2-[4-[4-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-oxidanylidene-2-[4-[4-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-oxo-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-oxo-2-[4-[oxo-[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]ethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-oxo-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[4-[4-(trifluoromethyl)benzoyl]piperazino]ethyl]-2H-phthalazin-1-one Formula: C22H19F3N4O3 MolecularWeight: 444.40647

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=NNC(=O)C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)CC2=NNC(=O)C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H19F3N4O3/c23-22(24,25)15-7-5-14(6-8-15)21(32)29-11-9-28(10-12-29)19(30)13-18-16-3-1-2-4-17(16)20(31)27-26-18/h1-8H,9-13H2,(H,27,31)