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

Systemtic Name: 4-[1-[4-(2-chloroethyl)piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[4-(2-chloroethyl)piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[4-(2-chloroethyl)-1-piperazinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[4-(2-chloroethyl)piperazin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[4-(2-chloroethyl)piperazino]hexyl]-2-methyl-benzonitrile Formula: C20H30ClN3 MolecularWeight: 347.9253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30ClN3/c1-3-4-5-6-20(18-7-8-19(16-22)17(2)15-18)24-13-11-23(10-9-21)12-14-24/h7-8,15,20H,3-6,9-14H2,1-2H3