6,7-diethoxy-1-phenyl-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroisoquinolin-3-one

Systemtic Name: 6,7-diethoxy-1-phenyl-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroisoquinolin-3-one Openeye Name: 6,7-diethoxy-1-phenyl-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroisoquinolin-3-one CAS Name: 6,7-diethoxy-1-phenyl-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroisoquinolin-3-one IUPAC Name: 6,7-diethoxy-1-phenyl-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroisoquinolin-3-one Traditional Name: 6,7-diethoxy-1-phenyl-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroisoquinolin-3-one Formula: C26H24F3NO3 MolecularWeight: 455.46887

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4)OCC

InChI

InChI=1S/C26H24F3NO3/c1-3-32-22-13-18-14-24(31)30(20-12-8-11-19(15-20)26(27,28)29)25(17-9-6-5-7-10-17)21(18)16-23(22)33-4-2/h5-13,15-16,25H,3-4,14H2,1-2H3