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

Systemtic Name: 4-[1-[4-[2-(4-azanylphenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[4-[2-(4-aminophenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[4-[2-(4-aminophenoxy)ethyl]-1-piperazinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[4-[2-(4-aminophenoxy)ethyl]piperazin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[4-[2-(4-aminophenoxy)ethyl]piperazino]hexyl]-2-methyl-benzonitrile Formula: C26H36N4O MolecularWeight: 420.59024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=CC=C(C=C3)N

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=CC=C(C=C3)N

InChI

InChI=1S/C26H36N4O/c1-3-4-5-6-26(22-7-8-23(20-27)21(2)19-22)30-15-13-29(14-16-30)17-18-31-25-11-9-24(28)10-12-25/h7-12,19,26H,3-6,13-18,28H2,1-2H3