2-[2-[3,4-bis(fluoranyl)phenyl]-1H-isoquinolin-1-yl]ethanenitrile

Systemtic Name: 2-[2-[3,4-bis(fluoranyl)phenyl]-1H-isoquinolin-1-yl]ethanenitrile Openeye Name: 2-[2-(3,4-difluorophenyl)-1H-isoquinolin-1-yl]acetonitrile CAS Name: 2-[2-(3,4-difluorophenyl)-1H-isoquinolin-1-yl]acetonitrile IUPAC Name: 2-[2-(3,4-difluorophenyl)-1H-isoquinolin-1-yl]acetonitrile Traditional Name: 2-[2-(3,4-difluorophenyl)-1H-isoquinolin-1-yl]acetonitrile Formula: C17H12F2N2 MolecularWeight: 282.287386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(N(C=CC2=C1)C3=CC(=C(C=C3)F)F)CC#N

Isomeric SMILES

C1=CC=C2C(N(C=CC2=C1)C3=CC(=C(C=C3)F)F)CC#N

InChI

InChI=1S/C17H12F2N2/c18-15-6-5-13(11-16(15)19)21-10-8-12-3-1-2-4-14(12)17(21)7-9-20/h1-6,8,10-11,17H,7H2