4-[1-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[1-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[4-[(2-hydroxyphenyl)methyl]-1-piperazinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 2-methyl-4-[1-(4-salicylpiperazino)hexyl]benzonitrile Formula: C25H33N3O MolecularWeight: 391.54902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CC3=CC=CC=C3O

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CC3=CC=CC=C3O

InChI

InChI=1S/C25H33N3O/c1-3-4-5-9-24(21-11-12-22(18-26)20(2)17-21)28-15-13-27(14-16-28)19-23-8-6-7-10-25(23)29/h6-8,10-12,17,24,29H,3-5,9,13-16,19H2,1-2H3