2-[2-(4-fluoranylphenoxy)ethanoyl]-1H-isoquinoline-1-carbonitrile

Systemtic Name: 2-[2-(4-fluoranylphenoxy)ethanoyl]-1H-isoquinoline-1-carbonitrile Openeye Name: 2-[2-(4-fluorophenoxy)acetyl]-1H-isoquinoline-1-carbonitrile CAS Name: 2-[2-(4-fluorophenoxy)-1-oxoethyl]-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-[2-(4-fluorophenoxy)acetyl]-1H-isoquinoline-1-carbonitrile Traditional Name: 2-[2-(4-fluorophenoxy)acetyl]-1H-isoquinoline-1-carbonitrile Formula: C18H13FN2O2 MolecularWeight: 308.306423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(N(C=CC2=C1)C(=O)COC3=CC=C(C=C3)F)C#N

Isomeric SMILES

C1=CC=C2C(N(C=CC2=C1)C(=O)COC3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C18H13FN2O2/c19-14-5-7-15(8-6-14)23-12-18(22)21-10-9-13-3-1-2-4-16(13)17(21)11-20/h1-10,17H,12H2