5-[1-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazin-1-yl]pentyl]-2-methyl-benzenecarbonitrile

Systemtic Name: 5-[1-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazin-1-yl]pentyl]-2-methyl-benzenecarbonitrile Openeye Name: 5-[1-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazin-1-yl]pentyl]-2-methyl-benzonitrile CAS Name: 5-[1-[4-[1-(4-cyano-3-methylphenyl)hexyl]-1-piperazinyl]pentyl]-2-methylbenzonitrile IUPAC Name: 5-[1-[4-[1-(4-cyano-3-methylphenyl)hexyl]piperazin-1-yl]pentyl]-2-methylbenzonitrile Traditional Name: 5-[1-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazino]pentyl]-2-methyl-benzonitrile Formula: C31H42N4 MolecularWeight: 470.69198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42N4/c1-5-7-9-11-31(26-14-15-28(22-32)25(4)20-26)35-18-16-34(17-19-35)30(10-8-6-2)27-13-12-24(3)29(21-27)23-33/h12-15,20-21,30-31H,5-11,16-19H2,1-4H3