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

Systemtic Name: 2-[4-(4-hexylphenyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(4-hexylphenyl)piperazin-1-yl]benzonitrile CAS Name: 2-[4-(4-hexylphenyl)-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-(4-hexylphenyl)piperazin-1-yl]benzonitrile Traditional Name: 2-[4-(4-hexylphenyl)piperazino]benzonitrile Formula: C23H29N3 MolecularWeight: 347.49646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)N2CCN(CC2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)N2CCN(CC2)C3=CC=CC=C3C#N

InChI

InChI=1S/C23H29N3/c1-2-3-4-5-8-20-11-13-22(14-12-20)25-15-17-26(18-16-25)23-10-7-6-9-21(23)19-24/h6-7,9-14H,2-5,8,15-18H2,1H3