4-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonyl-2-propan-2-yl-phthalazin-1-one

Systemtic Name: 4-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonyl-2-propan-2-yl-phthalazin-1-one Openeye Name: 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]-2-isopropyl-phthalazin-1-one CAS Name: 4-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-oxomethyl]-2-propan-2-yl-1-phthalazinone IUPAC Name: 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one Traditional Name: 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]-2-isopropyl-phthalazin-1-one Formula: C22H21ClF3N5O2 MolecularWeight: 479.88265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C22H21ClF3N5O2/c1-13(2)31-20(32)16-6-4-3-5-15(16)18(28-31)21(33)30-9-7-29(8-10-30)19-17(23)11-14(12-27-19)22(24,25)26/h3-6,11-13H,7-10H2,1-2H3