3-tert-butyl-4-phenyl-7-(trifluoromethyl)isoquinoline

Systemtic Name: 3-tert-butyl-4-phenyl-7-(trifluoromethyl)isoquinoline Openeye Name: 3-tert-butyl-4-phenyl-7-(trifluoromethyl)isoquinoline CAS Name: 3-tert-butyl-4-phenyl-7-(trifluoromethyl)isoquinoline IUPAC Name: 3-tert-butyl-4-phenyl-7-(trifluoromethyl)isoquinoline Traditional Name: 3-tert-butyl-4-phenyl-7-(trifluoromethyl)isoquinoline Formula: C20H18F3N MolecularWeight: 329.35883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC=C2C=C(C=CC2=C1C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=NC=C2C=C(C=CC2=C1C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H18F3N/c1-19(2,3)18-17(13-7-5-4-6-8-13)16-10-9-15(20(21,22)23)11-14(16)12-24-18/h4-12H,1-3H3