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

Systemtic Name: 4-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[2-(azepan-1-yl)-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 4-[1-(1-azepanyl)-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 4-[1-(azepan-1-yl)-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 4-[2-(azepan-1-yl)-2-keto-1-methyl-ethoxy]benzonitrile Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O2/c1-13(16(19)18-10-4-2-3-5-11-18)20-15-8-6-14(12-17)7-9-15/h6-9,13H,2-5,10-11H2,1H3