2-[(1-chloranylisoquinolin-3-yl)-methyl-amino]-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-[(1-chloranylisoquinolin-3-yl)-methyl-amino]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[(1-chloro-3-isoquinolyl)-methyl-amino]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[(1-chloro-3-isoquinolinyl)-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[(1-chloroisoquinolin-3-yl)-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[(1-chloro-3-isoquinolyl)-methyl-amino]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C19H15ClF3N3O2 MolecularWeight: 409.78951

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)OC(F)(F)F)C2=CC3=CC=CC=C3C(=N2)Cl

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)OC(F)(F)F)C2=CC3=CC=CC=C3C(=N2)Cl

InChI

InChI=1S/C19H15ClF3N3O2/c1-26(16-10-12-4-2-3-5-15(12)18(20)25-16)11-17(27)24-13-6-8-14(9-7-13)28-19(21,22)23/h2-10H,11H2,1H3,(H,24,27)