2-(phenylmethyl)-4-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-(phenylmethyl)-4-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-benzyl-4-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]phthalazin-1-one Formula: C26H22F3N5O2 MolecularWeight: 493.48039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C26H22F3N5O2/c27-26(28,29)19-10-11-22(30-16-19)32-12-14-33(15-13-32)25(36)23-20-8-4-5-9-21(20)24(35)34(31-23)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2