7DQ

6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile

Created:2016-10-11
Last modified:  2018-08-29

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count0
Bond Count51
Aromatic Bond Count12
2D diagram of 7DQ

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile
Systematic Name (OpenEye OEToolkits)6-[4-[2-(4-propan-2-ylphenyl)ethanoyl]piperazin-1-yl]pyridazine-3-carbonitrile
FormulaC20 H23 N5 O
Molecular Weight349.43
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3(ccc(N2CCN(C(Cc1ccc(cc1)C(C)C)=O)CC2)nn3)C#N
SMILESCACTVS3.385CC(C)c1ccc(CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)cc1
SMILESOpenEye OEToolkits2.0.6CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N
Canonical SMILESCACTVS3.385 CC(C)c1ccc(CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)cc1
Canonical SMILESOpenEye OEToolkits2.0.6 CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N
InChIInChI1.03 InChI=1S/C20H23N5O/c1-15(2)17-5-3-16(4-6-17)13-20(26)25-11-9-24(10-12-25)19-8-7-18(14-21)22-23-19/h3-8,15H,9-13H2,1-2H3
InChIKeyInChI1.03 LGWDVWIZDPGCFG-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 132260806