2-[(3-chlorophenyl)amino]-N-isoquinolin-5-yl-2-[4-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[(3-chlorophenyl)amino]-N-isoquinolin-5-yl-2-[4-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(3-chloroanilino)-N-(5-isoquinolyl)-2-[4-(trifluoromethyl)phenyl]acetamide CAS Name: 2-(3-chloroanilino)-N-(5-isoquinolinyl)-2-[4-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(3-chloroanilino)-N-isoquinolin-5-yl-2-[4-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(3-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=CC(=CC(=C1)Cl)NC(C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC(C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC=CC4=C3C=CN=C4

InChI

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