YIQ

(E)-5-(1-(2-CARBAMIMIDOYLHYDRAZONO)ETHYL)-N-(1H-INDOL-6-YL)-1H-INDOLE-2-CARBOXAMIDE

Created:2011-05-16
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count0
Bond Count50
Aromatic Bond Count20
2D diagram of YIQ

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Chemical Component Summary

Name(E)-5-(1-(2-CARBAMIMIDOYLHYDRAZONO)ETHYL)-N-(1H-INDOL-6-YL)-1H-INDOLE-2-CARBOXAMIDE
Systematic Name (OpenEye OEToolkits)5-[(E)-N-carbamimidamido-C-methyl-carbonimidoyl]-N-(1H-indol-6-yl)-1H-indole-2-carboxamide
FormulaC20 H19 N7 O
Molecular Weight373.411
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c2cc1cc(\C(=N\NC(=[N@H])N)C)ccc1n2)Nc3ccc4c(c3)ncc4
SMILESCACTVS3.370CC(=NNC(N)=N)c1ccc2[nH]c(cc2c1)C(=O)Nc3ccc4cc[nH]c4c3
SMILESOpenEye OEToolkits1.7.2CC(=NNC(=N)N)c1ccc2c(c1)cc([nH]2)C(=O)Nc3ccc4cc[nH]c4c3
Canonical SMILESCACTVS3.370 CC(=N\NC(N)=N)/c1ccc2[nH]c(cc2c1)C(=O)Nc3ccc4cc[nH]c4c3
Canonical SMILESOpenEye OEToolkits1.7.2 C/C(=N\NC(=N)N)/c1ccc2c(c1)cc([nH]2)C(=O)Nc3ccc4cc[nH]c4c3
InChIInChI1.03 InChI=1S/C20H19N7O/c1-11(26-27-20(21)22)13-3-5-16-14(8-13)9-18(25-16)19(28)24-15-4-2-12-6-7-23-17(12)10-15/h2-10,23,25H,1H3,(H,24,28)(H4,21,22,27)/b26-11+
InChIKeyInChI1.03 STGJVWUQAFPAMH-KBKYJPHKSA-N

Related Resource References

Resource NameReference
PubChem 57547724