2-methyl-4-[1-(4-pyridin-2-ylpiperazin-1-yl)hexyl]benzenecarbonitrile

Systemtic Name: 2-methyl-4-[1-(4-pyridin-2-ylpiperazin-1-yl)hexyl]benzenecarbonitrile Openeye Name: 2-methyl-4-[1-[4-(2-pyridyl)piperazin-1-yl]hexyl]benzonitrile CAS Name: 2-methyl-4-[1-[4-(2-pyridinyl)-1-piperazinyl]hexyl]benzonitrile IUPAC Name: 2-methyl-4-[1-(4-pyridin-2-ylpiperazin-1-yl)hexyl]benzonitrile Traditional Name: 2-methyl-4-[1-[4-(2-pyridyl)piperazino]hexyl]benzonitrile Formula: C23H30N4 MolecularWeight: 362.5111

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C23H30N4/c1-3-4-5-8-22(20-10-11-21(18-24)19(2)17-20)26-13-15-27(16-14-26)23-9-6-7-12-25-23/h6-7,9-12,17,22H,3-5,8,13-16H2,1-2H3