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Summary Geometry Related PDB entries

EOG

Summary

Name:	1-(2-chlorophenyl)-N,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
Formula:	C18 H14 Cl N5 O
Formal charge:	0
Formula weight:	351.79 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-(2-chlorophenyl)-N,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
OpenEye OEToolkits	2.0.6	1-(2-chlorophenyl)-~{N},4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c31ccc(cc1n4c(c2c(cccc2)Cl)nnc4c(n3)C)C(NC)=O
InChI	InChI	1.03	InChI=1S/C18H14ClN5O/c1-10-16-22-23-17(12-5-3-4-6-13(12)19)24(16)15-9-11(18(25)20-2)7-8-14(15)21-10/h3-9H,1-2H3,(H,20,25)
InChIKey	InChI	1.03	GUTVZXOGCBCORY-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CNC(=O)c1ccc2nc(C)c3nnc(n3c2c1)c4ccccc4Cl
SMILES	CACTVS	3.385	CNC(=O)c1ccc2nc(C)c3nnc(n3c2c1)c4ccccc4Cl
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC)c4ccccc4Cl
SMILES	OpenEye OEToolkits	2.0.6	Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC)c4ccccc4Cl

222624

數據於2024-07-17公開中

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