2-[3-[3-(5-chloranyl-3-methoxy-pyrazin-2-yl)oxyprop-1-ynyl]phenyl]ethanenitrile

Systemtic Name: 2-[3-[3-(5-chloranyl-3-methoxy-pyrazin-2-yl)oxyprop-1-ynyl]phenyl]ethanenitrile Openeye Name: 2-[3-[3-(5-chloro-3-methoxy-pyrazin-2-yl)oxyprop-1-ynyl]phenyl]acetonitrile CAS Name: 2-[3-[3-[(5-chloro-3-methoxy-2-pyrazinyl)oxy]prop-1-ynyl]phenyl]acetonitrile IUPAC Name: 2-[3-[3-(5-chloro-3-methoxypyrazin-2-yl)oxyprop-1-ynyl]phenyl]acetonitrile Traditional Name: 2-[3-[3-(5-chloro-3-methoxy-pyrazin-2-yl)oxyprop-1-ynyl]phenyl]acetonitrile Formula: C16H12ClN3O2 MolecularWeight: 313.73838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=CN=C1OCC#CC2=CC(=CC=C2)CC#N)Cl

Isomeric SMILES

COC1=NC(=CN=C1OCC#CC2=CC(=CC=C2)CC#N)Cl

InChI

InChI=1S/C16H12ClN3O2/c1-21-16-15(19-11-14(17)20-16)22-9-3-6-12-4-2-5-13(10-12)7-8-18/h2,4-5,10-11H,7,9H2,1H3