2-[4-(2-oxidanylideneazepan-3-yl)oxyphenyl]ethanenitrile

Systemtic Name: 2-[4-(2-oxidanylideneazepan-3-yl)oxyphenyl]ethanenitrile Openeye Name: 2-[4-(2-oxoazepan-3-yl)oxyphenyl]acetonitrile CAS Name: 2-[4-[(2-oxo-3-azepanyl)oxy]phenyl]acetonitrile IUPAC Name: 2-[4-(2-oxoazepan-3-yl)oxyphenyl]acetonitrile Traditional Name: 2-[4-(2-ketoazepan-3-yl)oxyphenyl]acetonitrile Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC2=CC=C(C=C2)CC#N

Isomeric SMILES

C1CCNC(=O)C(C1)OC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C14H16N2O2/c15-9-8-11-4-6-12(7-5-11)18-13-3-1-2-10-16-14(13)17/h4-7,13H,1-3,8,10H2,(H,16,17)