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Summary Geometry Related PDB entries

LM4

Summary

Name:	N,N-dimethyl-6-(naphthalen-2-yl)-5-(pyridin-4-yl)pyridazin-3-amine
Formula:	C21 H18 N4
Formal charge:	0
Formula weight:	326.394 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N,N-dimethyl-6-(naphthalen-2-yl)-5-(pyridin-4-yl)pyridazin-3-amine
OpenEye OEToolkits	1.7.6	N,N-dimethyl-6-naphthalen-2-yl-5-pyridin-4-yl-pyridazin-3-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n4ccc(c3cc(nnc3c1ccc2c(c1)cccc2)N(C)C)cc4
InChI	InChI	1.03	InChI=1S/C21H18N4/c1-25(2)20-14-19(16-9-11-22-12-10-16)21(24-23-20)18-8-7-15-5-3-4-6-17(15)13-18/h3-14H,1-2H3
InChIKey	InChI	1.03	ODFGOBPLQKLCRM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	CN(C)c1cc(c2ccncc2)c(nn1)c3ccc4ccccc4c3
SMILES	CACTVS	3.370	CN(C)c1cc(c2ccncc2)c(nn1)c3ccc4ccccc4c3
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	CN(C)c1cc(c(nn1)c2ccc3ccccc3c2)c4ccncc4
SMILES	OpenEye OEToolkits	1.7.6	CN(C)c1cc(c(nn1)c2ccc3ccccc3c2)c4ccncc4

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