N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)phenyl]-4-pyridinecarboxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)phenyl]isonicotinamide Formula: C22H18F3N3O MolecularWeight: 397.39303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)C(F)(F)F)NC(=O)C4=CC=NC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)C(F)(F)F)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C22H18F3N3O/c23-22(24,25)18-5-6-20(28-12-9-15-3-1-2-4-17(15)14-28)19(13-18)27-21(29)16-7-10-26-11-8-16/h1-8,10-11,13H,9,12,14H2,(H,27,29)