4-chloranyl-3-methoxy-2-[6-methyl-3-(trifluoromethyl)pyridin-2-yl]-4-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 4-chloranyl-3-methoxy-2-[6-methyl-3-(trifluoromethyl)pyridin-2-yl]-4-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-chloro-3-methoxy-2-[6-methyl-3-(trifluoromethyl)-2-pyridyl]-4-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-chloro-3-methoxy-2-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-4-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-chloro-3-methoxy-2-[6-methyl-3-(trifluoromethyl)pyridin-2-yl]-4-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-chloro-3-methoxy-2-[6-methyl-3-(trifluoromethyl)-2-pyridyl]-4-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C22H21ClF3N3O2 MolecularWeight: 451.86925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(F)(F)F)N2C(=O)C3CC=CCC3C(N2OC)(C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=NC(=C(C=C1)C(F)(F)F)N2C(=O)C3CC=CCC3C(N2OC)(C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H21ClF3N3O2/c1-14-12-13-18(22(24,25)26)19(27-14)28-20(30)16-10-6-7-11-17(16)21(23,29(28)31-2)15-8-4-3-5-9-15/h3-9,12-13,16-17H,10-11H2,1-2H3