67C

3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide

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

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Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count0
Bond Count48
Aromatic Bond Count11
2D diagram of 67C

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Chemical Component Summary

Name3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide
Systematic Name (OpenEye OEToolkits)3-(6-but-3-enyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)-~{N},~{N}-dimethyl-benzamide
FormulaC20 H21 N3 O2
Molecular Weight335.4
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CN(C(=O)c1cc(ccc1)C=3c2c(ncc2)C(N(C=3)CC[C@H]=C)=O)C
SMILESCACTVS3.385CN(C)C(=O)c1cccc(c1)C2=CN(CCC=C)C(=O)c3[nH]ccc23
SMILESOpenEye OEToolkits2.0.4CN(C)C(=O)c1cccc(c1)C2=CN(C(=O)c3c2cc[nH]3)CCC=C
Canonical SMILESCACTVS3.385 CN(C)C(=O)c1cccc(c1)C2=CN(CCC=C)C(=O)c3[nH]ccc23
Canonical SMILESOpenEye OEToolkits2.0.4 CN(C)C(=O)c1cccc(c1)C2=CN(C(=O)c3c2cc[nH]3)CCC=C
InChIInChI1.03 InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4,6-10,12-13,21H,1,5,11H2,2-3H3
InChIKeyInChI1.03 VNCNIMOILJQAGJ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 119081691