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Summary Geometry Related PDB entries

NEL

Summary

Name:	2-(3-chlorophenyl)-N-(1H-indazol-4-yl)acetamide
Formula:	C15 H12 Cl N3 O
Formal charge:	0
Formula weight:	285.728 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-(3-chlorophenyl)-N-(1H-indazol-4-yl)acetamide
OpenEye OEToolkits	2.0.7	2-(3-chlorophenyl)-~{N}-(1~{H}-indazol-4-yl)ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cccc(c1)CC(=O)Nc1cccc2[NH]ncc12
InChI	InChI	1.06	InChI=1S/C15H12ClN3O/c16-11-4-1-3-10(7-11)8-15(20)18-13-5-2-6-14-12(13)9-17-19-14/h1-7,9H,8H2,(H,17,19)(H,18,20)
InChIKey	InChI	1.06	CYQCEAJKJVOFMS-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1cccc(CC(=O)Nc2cccc3[nH]ncc23)c1
SMILES	CACTVS	3.385	Clc1cccc(CC(=O)Nc2cccc3[nH]ncc23)c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)Cl)CC(=O)Nc2cccc3c2cn[nH]3
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)Cl)CC(=O)Nc2cccc3c2cn[nH]3

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