2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethoxy]phenyl]acetonitrile CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethoxy]phenyl]acetonitrile Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethoxy]phenyl]acetonitrile Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=CC=C(C=C2)CC#N

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C16H20N2O2/c17-10-9-14-5-7-15(8-6-14)20-13-16(19)18-11-3-1-2-4-12-18/h5-8H,1-4,9,11-13H2