2-[4-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]oxyphenyl]ethanenitrile

Systemtic Name: 2-[4-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]oxyphenyl]ethanenitrile Openeye Name: 2-[4-[2-(azepan-1-yl)-1-methyl-2-oxo-ethoxy]phenyl]acetonitrile CAS Name: 2-[4-[1-(1-azepanyl)-1-oxopropan-2-yl]oxyphenyl]acetonitrile IUPAC Name: 2-[4-[1-(azepan-1-yl)-1-oxopropan-2-yl]oxyphenyl]acetonitrile Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-1-methyl-ethoxy]phenyl]acetonitrile Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC2=CC=C(C=C2)CC#N

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C17H22N2O2/c1-14(17(20)19-12-4-2-3-5-13-19)21-16-8-6-15(7-9-16)10-11-18/h6-9,14H,2-5,10,12-13H2,1H3