2-(azepan-1-yl)-2-(3-methoxy-4-oxidanyl-phenyl)ethanenitrile

Systemtic Name: 2-(azepan-1-yl)-2-(3-methoxy-4-oxidanyl-phenyl)ethanenitrile Openeye Name: 2-(azepan-1-yl)-2-(4-hydroxy-3-methoxy-phenyl)acetonitrile CAS Name: 2-(1-azepanyl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile IUPAC Name: 2-(azepan-1-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile Traditional Name: 2-(azepan-1-yl)-2-(4-hydroxy-3-methoxy-phenyl)acetonitrile Formula: C15H20N2O2 MolecularWeight: 260.3315

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C#N)N2CCCCCC2)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(C#N)N2CCCCCC2)O

InChI

InChI=1S/C15H20N2O2/c1-19-15-10-12(6-7-14(15)18)13(11-16)17-8-4-2-3-5-9-17/h6-7,10,13,18H,2-5,8-9H2,1H3