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

Systemtic Name: 3-[(2-chlorophenyl)amino]-N-isoquinolin-5-yl-2-[4-(trifluoromethyl)phenyl]propanamide Openeye Name: 3-(2-chloroanilino)-N-(5-isoquinolyl)-2-[4-(trifluoromethyl)phenyl]propanamide CAS Name: 3-(2-chloroanilino)-N-(5-isoquinolinyl)-2-[4-(trifluoromethyl)phenyl]propanamide IUPAC Name: 3-(2-chloroanilino)-N-isoquinolin-5-yl-2-[4-(trifluoromethyl)phenyl]propanamide Traditional Name: 3-(2-chloroanilino)-N-(5-isoquinolyl)-2-[4-(trifluoromethyl)phenyl]propionamide Formula: C25H19ClF3N3O MolecularWeight: 469.88607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19ClF3N3O/c26-21-5-1-2-6-23(21)31-15-20(16-8-10-18(11-9-16)25(27,28)29)24(33)32-22-7-3-4-17-14-30-13-12-19(17)22/h1-14,20,31H,15H2,(H,32,33)