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

Systemtic Name: 3-methoxy-4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethoxy]benzenecarbonitrile Openeye Name: 3-methoxy-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzonitrile CAS Name: 3-methoxy-4-[2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy]benzonitrile IUPAC Name: 3-methoxy-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzonitrile Traditional Name: 4-[2-keto-2-(4-phenylpiperazino)ethoxy]-3-methoxy-benzonitrile Formula: C20H21N3O3 MolecularWeight: 351.39904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3/c1-25-19-13-16(14-21)7-8-18(19)26-15-20(24)23-11-9-22(10-12-23)17-5-3-2-4-6-17/h2-8,13H,9-12,15H2,1H3