4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethoxy]-3-methoxy-benzonitrile CAS Name: 4-[2-(1-azepanyl)-2-oxoethoxy]-3-methoxybenzonitrile IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethoxy]-3-methoxybenzonitrile Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethoxy]-3-methoxy-benzonitrile Formula: C16H20N2O3 MolecularWeight: 288.3416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCCCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C16H20N2O3/c1-20-15-10-13(11-17)6-7-14(15)21-12-16(19)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,12H2,1H3