4-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethoxy]phenyl]benzonitrile CAS Name: 4-[4-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]benzonitrile Traditional Name: 4-[4-[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethoxy]phenyl]benzonitrile Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H25N3O3/c1-31-24-12-8-23(9-13-24)28-14-16-29(17-15-28)26(30)19-32-25-10-6-22(7-11-25)21-4-2-20(18-27)3-5-21/h2-13H,14-17,19H2,1H3