2-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanenitrile

Systemtic Name: 2-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanenitrile Openeye Name: 2-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methylamino]acetonitrile CAS Name: 2-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methylamino]acetonitrile IUPAC Name: 2-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]acetonitrile Traditional Name: 2-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]amino]acetonitrile Formula: C16H16BrN3O2 MolecularWeight: 362.22114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCC#N)Br)OCC2=CN=CC=C2

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCC#N)Br)OCC2=CN=CC=C2

InChI

InChI=1S/C16H16BrN3O2/c1-21-15-8-13(10-20-6-4-18)7-14(17)16(15)22-11-12-3-2-5-19-9-12/h2-3,5,7-9,20H,6,10-11H2,1H3