2-[4-[1-[(2-oxidanylideneazepan-3-yl)amino]ethyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[1-[(2-oxidanylideneazepan-3-yl)amino]ethyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[1-[(2-oxoazepan-3-yl)amino]ethyl]phenoxy]acetonitrile CAS Name: 2-[4-[1-[(2-oxo-3-azepanyl)amino]ethyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[1-[(2-oxoazepan-3-yl)amino]ethyl]phenoxy]acetonitrile Traditional Name: 2-[4-[1-[(2-ketoazepan-3-yl)amino]ethyl]phenoxy]acetonitrile Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OCC#N)NC2CCCCNC2=O

Isomeric SMILES

CC(C1=CC=C(C=C1)OCC#N)NC2CCCCNC2=O

InChI

InChI=1S/C16H21N3O2/c1-12(19-15-4-2-3-10-18-16(15)20)13-5-7-14(8-6-13)21-11-9-17/h5-8,12,15,19H,2-4,10-11H2,1H3,(H,18,20)