2-[2-methoxy-3,4-bis(pyridin-4-ylmethyl)phenyl]ethanenitrile

Systemtic Name: 2-[2-methoxy-3,4-bis(pyridin-4-ylmethyl)phenyl]ethanenitrile Openeye Name: 2-[2-methoxy-3,4-bis(4-pyridylmethyl)phenyl]acetonitrile CAS Name: 2-[2-methoxy-3,4-bis(pyridin-4-ylmethyl)phenyl]acetonitrile IUPAC Name: 2-[2-methoxy-3,4-bis(pyridin-4-ylmethyl)phenyl]acetonitrile Traditional Name: 2-[2-methoxy-3,4-bis(4-pyridylmethyl)phenyl]acetonitrile Formula: C21H19N3O MolecularWeight: 329.39506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1CC2=CC=NC=C2)CC3=CC=NC=C3)CC#N

Isomeric SMILES

COC1=C(C=CC(=C1CC2=CC=NC=C2)CC3=CC=NC=C3)CC#N

InChI

InChI=1S/C21H19N3O/c1-25-21-18(4-9-22)2-3-19(14-16-5-10-23-11-6-16)20(21)15-17-7-12-24-13-8-17/h2-3,5-8,10-13H,4,14-15H2,1H3