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

Systemtic Name: 3-[(4-chlorophenyl)amino]-N-isoquinolin-5-yl-2-[4-(trifluoromethyl)phenyl]propanamide Openeye Name: 3-(4-chloroanilino)-N-(5-isoquinolyl)-2-[4-(trifluoromethyl)phenyl]propanamide CAS Name: 3-(4-chloroanilino)-N-(5-isoquinolinyl)-2-[4-(trifluoromethyl)phenyl]propanamide IUPAC Name: 3-(4-chloroanilino)-N-isoquinolin-5-yl-2-[4-(trifluoromethyl)phenyl]propanamide Traditional Name: 3-(4-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=CC2=C(C=CN=C2)C(=C1)NC(=O)C(CNC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)C(CNC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)C(F)(F)F

InChI

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