2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-piperidin-1-yl-ethanenitrile

Systemtic Name: 2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-piperidin-1-yl-ethanenitrile Openeye Name: 2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(1-piperidyl)acetonitrile CAS Name: 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(1-piperidinyl)acetonitrile IUPAC Name: 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-piperidin-1-ylacetonitrile Traditional Name: 2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-piperidino-acetonitrile Formula: C14H17BrN2O2 MolecularWeight: 325.20098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(C#N)N2CCCCC2)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C(C#N)N2CCCCC2)Br)O

InChI

InChI=1S/C14H17BrN2O2/c1-19-13-8-10(7-11(15)14(13)18)12(9-16)17-5-3-2-4-6-17/h7-8,12,18H,2-6H2,1H3