2-[1-[4-(trifluoromethyl)phenyl]isoquinolin-5-yl]ethanenitrile

Systemtic Name: 2-[1-[4-(trifluoromethyl)phenyl]isoquinolin-5-yl]ethanenitrile Openeye Name: 2-[1-[4-(trifluoromethyl)phenyl]-5-isoquinolyl]acetonitrile CAS Name: 2-[1-[4-(trifluoromethyl)phenyl]-5-isoquinolinyl]acetonitrile IUPAC Name: 2-[1-[4-(trifluoromethyl)phenyl]isoquinolin-5-yl]acetonitrile Traditional Name: 2-[1-[4-(trifluoromethyl)phenyl]-5-isoquinolyl]acetonitrile Formula: C18H11F3N2 MolecularWeight: 312.28855

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2C3=CC=C(C=C3)C(F)(F)F)C(=C1)CC#N

Isomeric SMILES

C1=CC2=C(C=CN=C2C3=CC=C(C=C3)C(F)(F)F)C(=C1)CC#N

InChI

InChI=1S/C18H11F3N2/c19-18(20,21)14-6-4-13(5-7-14)17-16-3-1-2-12(8-10-22)15(16)9-11-23-17/h1-7,9,11H,8H2