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

Systemtic Name: 4-[4-(4-octoxyphenyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(4-octoxyphenyl)piperazin-1-yl]benzonitrile CAS Name: 4-[4-(4-octoxyphenyl)-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-(4-octoxyphenyl)piperazin-1-yl]benzonitrile Traditional Name: 4-[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=C(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O/c1-2-3-4-5-6-7-20-29-25-14-12-24(13-15-25)28-18-16-27(17-19-28)23-10-8-22(21-26)9-11-23/h8-15H,2-7,16-20H2,1H3