2-[6-[(3-fluorophenyl)methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanenitrile

Systemtic Name: 2-[6-[(3-fluorophenyl)methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanenitrile Openeye Name: 2-[6-[(3-fluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetonitrile CAS Name: 2-[6-[(3-fluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetonitrile IUPAC Name: 2-[6-[(3-fluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetonitrile Traditional Name: 2-[6-(3-fluorobenzyl)oxy-1-keto-3,4-dihydroisoquinolin-2-yl]acetonitrile Formula: C18H15FN2O2 MolecularWeight: 310.322303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=C(C=C2)OCC3=CC(=CC=C3)F)CC#N

Isomeric SMILES

C1CN(C(=O)C2=C1C=C(C=C2)OCC3=CC(=CC=C3)F)CC#N

InChI

InChI=1S/C18H15FN2O2/c19-15-3-1-2-13(10-15)12-23-16-4-5-17-14(11-16)6-8-21(9-7-20)18(17)22/h1-5,10-11H,6,8-9,12H2