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

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

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=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O/c1-3-4-5-6-25(22-7-8-23(20-26)21(2)19-22)29-15-13-28(14-16-29)17-18-30-24-9-11-27-12-10-24/h7-12,19,25H,3-6,13-18H2,1-2H3