2-[3-[[(2-oxidanylideneazepan-3-yl)amino]methyl]phenoxy]ethanenitrile

Systemtic Name: 2-[3-[[(2-oxidanylideneazepan-3-yl)amino]methyl]phenoxy]ethanenitrile Openeye Name: 2-[3-[[(2-oxoazepan-3-yl)amino]methyl]phenoxy]acetonitrile CAS Name: 2-[3-[[(2-oxo-3-azepanyl)amino]methyl]phenoxy]acetonitrile IUPAC Name: 2-[3-[[(2-oxoazepan-3-yl)amino]methyl]phenoxy]acetonitrile Traditional Name: 2-[3-[[(2-ketoazepan-3-yl)amino]methyl]phenoxy]acetonitrile Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=CC(=CC=C2)OCC#N

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=CC(=CC=C2)OCC#N

InChI

InChI=1S/C15H19N3O2/c16-7-9-20-13-5-3-4-12(10-13)11-18-14-6-1-2-8-17-15(14)19/h3-5,10,14,18H,1-2,6,8-9,11H2,(H,17,19)