N-quinolin-7-yl-2-[2,2,2-tris(fluoranyl)ethyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide

Systemtic Name: N-quinolin-7-yl-2-[2,2,2-tris(fluoranyl)ethyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide Openeye Name: N-(7-quinolyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide CAS Name: N-(7-quinolinyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide IUPAC Name: N-quinolin-7-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide Traditional Name: N-(7-quinolyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide Formula: C21H18F3N3O MolecularWeight: 385.38233

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=C(C=C2)C(=O)NC3=CC4=C(C=CC=N4)C=C3)CC(F)(F)F

Isomeric SMILES

C1CN(CC2=C1C=C(C=C2)C(=O)NC3=CC4=C(C=CC=N4)C=C3)CC(F)(F)F

InChI

InChI=1S/C21H18F3N3O/c22-21(23,24)13-27-9-7-15-10-16(3-4-17(15)12-27)20(28)26-18-6-5-14-2-1-8-25-19(14)11-18/h1-6,8,10-11H,7,9,12-13H2,(H,26,28)