2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carbonitrile

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carbonitrile Openeye Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carbonitrile CAS Name: 2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-[3-(trifluoromethyl)phenyl]-3-pyrrolecarbonitrile IUPAC Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carbonitrile Traditional Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carbonitrile Formula: C22H16F3N3O MolecularWeight: 395.37715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=C(C=CN3C4=CC=CC(=C4)C(F)(F)F)C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=C(C=CN3C4=CC=CC(=C4)C(F)(F)F)C#N

InChI

InChI=1S/C22H16F3N3O/c23-22(24,25)18-6-3-7-19(12-18)28-11-9-16(13-26)20(28)21(29)27-10-8-15-4-1-2-5-17(15)14-27/h1-7,9,11-12H,8,10,14H2