4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexane-1,3-dione

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexane-1,3-dione Openeye Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexane-1,3-dione CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexane-1,3-dione IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexane-1,3-dione Traditional Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexane-1,3-quinone Formula: C28H24ClF3N2O3 MolecularWeight: 528.94997

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2C3=C(C=C(C=N3)C(F)(F)F)Cl)C4C5=CC=CC=C5CCN4

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2C3=C(C=C(C=N3)C(F)(F)F)Cl)C4C5=CC=CC=C5CCN4

InChI

InChI=1S/C28H24ClF3N2O3/c1-37-18-8-6-16(7-9-18)20-13-22(35)24(25-19-5-3-2-4-15(19)10-11-33-25)27(36)23(20)26-21(29)12-17(14-34-26)28(30,31)32/h2-9,12,14,20,23-25,33H,10-11,13H2,1H3