LM3

N,N-dimethyl-6-(naphthalen-1-yl)-5-(pyridin-4-yl)pyridazin-3-amine

Created:	2012-06-01
Last modified:	2013-06-05

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1 entries where LM3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	23

2D diagram of LM3

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Chemical Component Summary
Name	N,N-dimethyl-6-(naphthalen-1-yl)-5-(pyridin-4-yl)pyridazin-3-amine
Systematic Name (OpenEye OEToolkits)	N,N-dimethyl-6-naphthalen-1-yl-5-pyridin-4-yl-pyridazin-3-amine
Formula	C₂₁ H₁₈ N₄
Molecular Weight	326.394
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n4ccc(c3cc(nnc3c1cccc2c1cccc2)N(C)C)cc4
SMILES	CACTVS	3.370	CN(C)c1cc(c2ccncc2)c(nn1)c3cccc4ccccc34
SMILES	OpenEye OEToolkits	1.7.6	CN(C)c1cc(c(nn1)c2cccc3c2cccc3)c4ccncc4
Canonical SMILES	CACTVS	3.370	CN(C)c1cc(c2ccncc2)c(nn1)c3cccc4ccccc34
Canonical SMILES	OpenEye OEToolkits	1.7.6	CN(C)c1cc(c(nn1)c2cccc3c2cccc3)c4ccncc4
InChI	InChI	1.03	InChI=1S/C21H18N4/c1-25(2)20-14-19(16-10-12-22-13-11-16)21(24-23-20)18-9-5-7-15-6-3-4-8-17(15)18/h3-14H,1-2H3
InChIKey	InChI	1.03	GEAPHVHHVPDTKQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71464711

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