67B

N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide

Created:2016-02-10
Last modified:  2016-06-08

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Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count0
Bond Count41
Aromatic Bond Count11
2D diagram of 67B

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Chemical Component Summary

NameN,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide
Systematic Name (OpenEye OEToolkits)~{N},~{N}-dimethyl-3-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide
FormulaC17 H17 N3 O2
Molecular Weight295.336
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3c(C(=O)N(C)C)cc(C1=CN(C)C(=O)c2c1ccn2)cc3
SMILESCACTVS3.385CN(C)C(=O)c1cccc(c1)C2=CN(C)C(=O)c3[nH]ccc23
SMILESOpenEye OEToolkits2.0.4CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C
Canonical SMILESCACTVS3.385 CN(C)C(=O)c1cccc(c1)C2=CN(C)C(=O)c3[nH]ccc23
Canonical SMILESOpenEye OEToolkits2.0.4 CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C
InChIInChI1.03 InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
InChIKeyInChI1.03 YHMNROQTPUKNLA-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 119081692