MVZ

5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine

Created:2019-10-25
Last modified:  2020-03-04

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count0
Bond Count30
Aromatic Bond Count15
2D diagram of MVZ

Chemical Component Summary

Name5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine
Systematic Name (OpenEye OEToolkits)5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine
FormulaC12 H10 Br Cl N4
Molecular Weight325.592
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Cc1cc(Br)c(Nc2[nH]ccn2)c3c(Cl)c[nH]c13
SMILESOpenEye OEToolkits2.0.7Cc1cc(c(c2c1[nH]cc2Cl)Nc3[nH]ccn3)Br
Canonical SMILESCACTVS3.385 Cc1cc(Br)c(Nc2[nH]ccn2)c3c(Cl)c[nH]c13
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1cc(c(c2c1[nH]cc2Cl)Nc3[nH]ccn3)Br
InChIInChI1.03 InChI=1S/C12H10BrClN4/c1-6-4-7(13)11(18-12-15-2-3-16-12)9-8(14)5-17-10(6)9/h2-5,17H,1H3,(H2,15,16,18)
InChIKeyInChI1.03 NKEWJSANHAKFDR-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 146018702