3-tert-butyl-1-chloranyl-4-phenyl-7-(trifluoromethyl)isoquinoline

Systemtic Name: 3-tert-butyl-1-chloranyl-4-phenyl-7-(trifluoromethyl)isoquinoline Openeye Name: 3-tert-butyl-1-chloro-4-phenyl-7-(trifluoromethyl)isoquinoline CAS Name: 3-tert-butyl-1-chloro-4-phenyl-7-(trifluoromethyl)isoquinoline IUPAC Name: 3-tert-butyl-1-chloro-4-phenyl-7-(trifluoromethyl)isoquinoline Traditional Name: 3-tert-butyl-1-chloro-4-phenyl-7-(trifluoromethyl)isoquinoline Formula: C20H17ClF3N MolecularWeight: 363.80389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C2=C(C=C(C=C2)C(F)(F)F)C(=N1)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=C(C2=C(C=C(C=C2)C(F)(F)F)C(=N1)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H17ClF3N/c1-19(2,3)17-16(12-7-5-4-6-8-12)14-10-9-13(20(22,23)24)11-15(14)18(21)25-17/h4-11H,1-3H3