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Summary Geometry Related PDB entries

N09

Summary

Name:	N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[4,3-c]pyrazol-1(4H)-yl)acetamide
Formula:	C19 H14 Cl N3 O4
Formal charge:	0
Formula weight:	383.785 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[4,3-c]pyrazol-1(4H)-yl)acetamide
OpenEye OEToolkits	1.7.6	N-(4-chloranyl-3-methoxy-phenyl)-2-(4-oxidanylidenechromeno[4,3-c]pyrazol-1-yl)ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccc(cc1OC)NC(=O)Cn4ncc2c4c3c(OC2=O)cccc3
InChI	InChI	1.03	InChI=1S/C19H14ClN3O4/c1-26-16-8-11(6-7-14(16)20)22-17(24)10-23-18-12-4-2-3-5-15(12)27-19(25)13(18)9-21-23/h2-9H,10H2,1H3,(H,22,24)
InChIKey	InChI	1.03	DJHSRZJOSYWGCG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc(NC(=O)Cn2ncc3C(=O)Oc4ccccc4c23)ccc1Cl
SMILES	CACTVS	3.385	COc1cc(NC(=O)Cn2ncc3C(=O)Oc4ccccc4c23)ccc1Cl
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	COc1cc(ccc1Cl)NC(=O)Cn2c-3c(cn2)C(=O)Oc4c3cccc4
SMILES	OpenEye OEToolkits	1.7.6	COc1cc(ccc1Cl)NC(=O)Cn2c-3c(cn2)C(=O)Oc4c3cccc4

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