1-(cyanomethyl)-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: 1-(cyanomethyl)-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: 1-(cyanomethyl)-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 1-(cyanomethyl)-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 1-(cyanomethyl)-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: 1-(cyanomethyl)-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C19H16F3N3O MolecularWeight: 359.34505

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC#N)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC#N)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H16F3N3O/c20-19(21,22)14-5-3-6-15(12-14)24-18(26)25-11-9-13-4-1-2-7-16(13)17(25)8-10-23/h1-7,12,17H,8-9,11H2,(H,24,26)