4US

4-(2-chlorophenyl)-7-[(4-methylpiperazin-1-yl)carbonyl]-9H-carbazole-1-carboxamide

Created: 2015-06-01
Last modified:  2015-09-23

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Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count0
Bond Count59
Aromatic Bond Count21
2D diagram of 4US
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Chemical Component Summary

Name4-(2-chlorophenyl)-7-[(4-methylpiperazin-1-yl)carbonyl]-9H-carbazole-1-carboxamide
Systematic Name (OpenEye OEToolkits)4-(2-chlorophenyl)-7-(4-methylpiperazin-1-yl)carbonyl-9H-carbazole-1-carboxamide
FormulaC25 H23 Cl N4 O2
Molecular Weight446.929
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01c2cc(C(=O)N1CCN(CC1)C)cc3nc5c(c23)c(c4c(cccc4)Cl)ccc5C(=O)N
SMILESCACTVS3.385CN1CCN(CC1)C(=O)c2ccc3c([nH]c4c(ccc(c5ccccc5Cl)c34)C(N)=O)c2
SMILESOpenEye OEToolkits1.9.2CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5Cl
Canonical SMILESCACTVS3.385 CN1CCN(CC1)C(=O)c2ccc3c([nH]c4c(ccc(c5ccccc5Cl)c34)C(N)=O)c2
Canonical SMILESOpenEye OEToolkits1.9.2 CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5Cl
InChIInChI1.03 InChI=1S/C25H23ClN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-7-18-21(14-15)28-23-19(24(27)31)9-8-17(22(18)23)16-4-2-3-5-20(16)26/h2-9,14,28H,10-13H2,1H3,(H2,27,31)
InChIKeyInChI1.03 YICBVOVZLQDBBM-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3621503
PubChem 91885524
ChEMBL CHEMBL3621503