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

Systemtic Name: 2-[4-[(E)-3-(azepan-1-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(azepan-1-yl)-3-oxo-prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-(1-azepanyl)-3-oxoprop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(azepan-1-yl)-3-oxoprop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(azepan-1-yl)-3-keto-prop-1-enyl]phenoxy]acetonitrile Formula: C17H20N2O2 MolecularWeight: 284.3529

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C=CC2=CC=C(C=C2)OCC#N

Isomeric SMILES

C1CCCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)OCC#N

InChI

InChI=1S/C17H20N2O2/c18-11-14-21-16-8-5-15(6-9-16)7-10-17(20)19-12-3-1-2-4-13-19/h5-10H,1-4,12-14H2/b10-7+