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Summary Geometry Related PDB entries

A1B8O

Summary

Name:	(2R)-2-(6-chloro-1H-indazol-4-yl)-N-methyl-2-[(3-oxo-1,3-dihydro-2-benzofuran-5-yl)amino]acetamide
Formula:	C18 H15 Cl N4 O3
Formal charge:	0
Formula weight:	370.79 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	(2R)-2-(6-chloro-1H-indazol-4-yl)-N-methyl-2-[(3-oxo-1,3-dihydro-2-benzofuran-5-yl)amino]acetamide
OpenEye OEToolkits	3.1.0.0	(2~{R})-2-(6-chloranyl-1~{H}-indazol-4-yl)-~{N}-methyl-2-[(3-oxidanylidene-1~{H}-2-benzofuran-5-yl)amino]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Clc1cc(c2cn[NH]c2c1)C(Nc1cc2C(=O)OCc2cc1)C(=O)NC
InChI	InChI	1.06	InChI=1S/C18H15ClN4O3/c1-20-17(24)16(13-4-10(19)5-15-14(13)7-21-23-15)22-11-3-2-9-8-26-18(25)12(9)6-11/h2-7,16,22H,8H2,1H3,(H,20,24)(H,21,23)/t16-/m1/s1
InChIKey	InChI	1.06	HNZZZCIGBNYXEQ-MRXNPFEDSA-N
SMILES_CANONICAL	CACTVS	3.385	CNC(=O)[C@H](Nc1ccc2COC(=O)c2c1)c3cc(Cl)cc4[nH]ncc34
SMILES	CACTVS	3.385	CNC(=O)[CH](Nc1ccc2COC(=O)c2c1)c3cc(Cl)cc4[nH]ncc34
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	CNC(=O)[C@@H](c1cc(cc2c1cn[nH]2)Cl)Nc3ccc4c(c3)C(=O)OC4
SMILES	OpenEye OEToolkits	3.1.0.0	CNC(=O)C(c1cc(cc2c1cn[nH]2)Cl)Nc3ccc4c(c3)C(=O)OC4

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