M78

~{N},2,3-trimethyl-1~{H}-indole-5-carboxamide

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

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1 entries where M78 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	10

2D diagram of M78

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Chemical Component Summary
Name	~{N},2,3-trimethyl-1~{H}-indole-5-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N},2,3-trimethyl-1~{H}-indole-5-carboxamide
Formula	C₁₂ H₁₄ N₂ O
Molecular Weight	202.252
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNC(=O)c1ccc2[nH]c(C)c(C)c2c1
SMILES	OpenEye OEToolkits	2.0.7	Cc1c([nH]c2c1cc(cc2)C(=O)NC)C
Canonical SMILES	CACTVS	3.385	CNC(=O)c1ccc2[nH]c(C)c(C)c2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c([nH]c2c1cc(cc2)C(=O)NC)C
InChI	InChI	1.03	InChI=1S/C12H14N2O/c1-7-8(2)14-11-5-4-9(6-10(7)11)12(15)13-3/h4-6,14H,1-3H3,(H,13,15)
InChIKey	InChI	1.03	UKUPFXPDMYJYSN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	20939976

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