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

Systemtic Name: 2-methyl-4-[1-[4-(2-pyridin-2-yloxyethyl)piperazin-1-yl]hexyl]benzenecarbonitrile Openeye Name: 2-methyl-4-[1-[4-[2-(2-pyridyloxy)ethyl]piperazin-1-yl]hexyl]benzonitrile CAS Name: 2-methyl-4-[1-[4-[2-(2-pyridinyloxy)ethyl]-1-piperazinyl]hexyl]benzonitrile IUPAC Name: 2-methyl-4-[1-[4-(2-pyridin-2-yloxyethyl)piperazin-1-yl]hexyl]benzonitrile Traditional Name: 2-methyl-4-[1-[4-[2-(2-pyridyloxy)ethyl]piperazino]hexyl]benzonitrile Formula: C25H34N4O MolecularWeight: 406.56366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=CC=CC=N3

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=CC=CC=N3

InChI

InChI=1S/C25H34N4O/c1-3-4-5-8-24(22-10-11-23(20-26)21(2)19-22)29-15-13-28(14-16-29)17-18-30-25-9-6-7-12-27-25/h6-7,9-12,19,24H,3-5,8,13-18H2,1-2H3