4-thiophen-2-yl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phthalazin-1-one

Systemtic Name: 4-thiophen-2-yl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 4-(2-thienyl)-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phthalazin-1-one CAS Name: 4-thiophen-2-yl-2-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 4-thiophen-2-yl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 4-(2-thienyl)-2-[[4-[3-(trifluoromethyl)phenyl]piperazino]methyl]phthalazin-1-one Formula: C24H21F3N4OS MolecularWeight: 470.50995

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C24H21F3N4OS/c25-24(26,27)17-5-3-6-18(15-17)30-12-10-29(11-13-30)16-31-23(32)20-8-2-1-7-19(20)22(28-31)21-9-4-14-33-21/h1-9,14-15H,10-13,16H2