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

Systemtic Name: 4-[1-[4-(2-hydroxyethyl)piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[4-(2-hydroxyethyl)piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[4-(2-hydroxyethyl)-1-piperazinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[4-(2-hydroxyethyl)piperazin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[4-(2-hydroxyethyl)piperazino]hexyl]-2-methyl-benzonitrile Formula: C20H31N3O MolecularWeight: 329.47964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCO

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCO

InChI

InChI=1S/C20H31N3O/c1-3-4-5-6-20(18-7-8-19(16-21)17(2)15-18)23-11-9-22(10-12-23)13-14-24/h7-8,15,20,24H,3-6,9-14H2,1-2H3