2-[4-[(E)-3-(azepan-1-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-(azepan-1-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(azepan-1-yl)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-(1-azepanyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(azepan-1-yl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(azepan-1-yl)-3-keto-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3/c1-22-17-14-15(6-8-16(17)23-13-10-19)7-9-18(21)20-11-4-2-3-5-12-20/h6-9,14H,2-5,11-13H2,1H3/b9-7+