2-[(4-chlorophenyl)amino]-N-isoquinolin-5-yl-2-[4-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[(4-chlorophenyl)amino]-N-isoquinolin-5-yl-2-[4-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(4-chloroanilino)-N-(5-isoquinolyl)-2-[4-(trifluoromethyl)phenyl]acetamide CAS Name: 2-(4-chloroanilino)-N-(5-isoquinolinyl)-2-[4-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(4-chloroanilino)-N-isoquinolin-5-yl-2-[4-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(4-chloroanilino)-N-(5-isoquinolyl)-2-[4-(trifluoromethyl)phenyl]acetamide Formula: C24H17ClF3N3O MolecularWeight: 455.85949

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)C(C3=CC=C(C=C3)C(F)(F)F)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)C(C3=CC=C(C=C3)C(F)(F)F)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H17ClF3N3O/c25-18-8-10-19(11-9-18)30-22(15-4-6-17(7-5-15)24(26,27)28)23(32)31-21-3-1-2-16-14-29-13-12-20(16)21/h1-14,22,30H,(H,31,32)