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

Systemtic Name: 2-propan-2-yl-4-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-isopropyl-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-propan-2-yl-1-phthalazinone IUPAC Name: 2-propan-2-yl-4-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-isopropyl-4-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]phthalazin-1-one Formula: C22H22F3N5O2 MolecularWeight: 445.43759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22F3N5O2/c1-14(2)30-20(31)17-6-4-3-5-16(17)19(27-30)21(32)29-11-9-28(10-12-29)18-8-7-15(13-26-18)22(23,24)25/h3-8,13-14H,9-12H2,1-2H3