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

Systemtic Name: 2-methyl-4-[1-[4-(2-pyrimidin-2-yloxyethyl)piperazin-1-yl]hexyl]benzenecarbonitrile Openeye Name: 2-methyl-4-[1-[4-(2-pyrimidin-2-yloxyethyl)piperazin-1-yl]hexyl]benzonitrile CAS Name: 2-methyl-4-[1-[4-[2-(2-pyrimidinyloxy)ethyl]-1-piperazinyl]hexyl]benzonitrile IUPAC Name: 2-methyl-4-[1-[4-(2-pyrimidin-2-yloxyethyl)piperazin-1-yl]hexyl]benzonitrile Traditional Name: 2-methyl-4-[1-[4-[2-(2-pyrimidyloxy)ethyl]piperazino]hexyl]benzonitrile Formula: C24H33N5O MolecularWeight: 407.55172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O/c1-3-4-5-7-23(21-8-9-22(19-25)20(2)18-21)29-14-12-28(13-15-29)16-17-30-24-26-10-6-11-27-24/h6,8-11,18,23H,3-5,7,12-17H2,1-2H3