2-[4-(4-octoxyphenyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-(4-octoxyphenyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(4-octoxyphenyl)piperazin-1-yl]benzonitrile CAS Name: 2-[4-(4-octoxyphenyl)-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-(4-octoxyphenyl)piperazin-1-yl]benzonitrile Traditional Name: 2-[4-(4-octoxyphenyl)piperazino]benzonitrile Formula: C25H33N3O MolecularWeight: 391.54902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=CC=CC=C3C#N

InChI

InChI=1S/C25H33N3O/c1-2-3-4-5-6-9-20-29-24-14-12-23(13-15-24)27-16-18-28(19-17-27)25-11-8-7-10-22(25)21-26/h7-8,10-15H,2-6,9,16-20H2,1H3