4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-3-chloranyl-5-methoxy-benzenecarbonitrile

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-3-chloranyl-5-methoxy-benzenecarbonitrile Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethoxy]-3-chloro-5-methoxy-benzonitrile CAS Name: 4-[2-(1-azepanyl)-2-oxoethoxy]-3-chloro-5-methoxybenzonitrile IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethoxy]-3-chloro-5-methoxybenzonitrile Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethoxy]-3-chloro-5-methoxy-benzonitrile Formula: C16H19ClN2O3 MolecularWeight: 322.78666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O3/c1-21-14-9-12(10-18)8-13(17)16(14)22-11-15(20)19-6-4-2-3-5-7-19/h8-9H,2-7,11H2,1H3