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Summary Geometry Related PDB entries

KWY

Summary

Name:	4-tert-butyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
Formula:	C26 H25 N3 O
Formal charge:	0
Formula weight:	395.496 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-tert-butyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
OpenEye OEToolkits	2.0.7	4-~{tert}-butyl-~{N}-(2,5-diphenylpyrazol-3-yl)benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(c4ccc(C(=O)Nc3cc(c1ccccc1)nn3c2ccccc2)cc4)(C)C
InChI	InChI	1.03	InChI=1S/C26H25N3O/c1-26(2,3)21-16-14-20(15-17-21)25(30)27-24-18-23(19-10-6-4-7-11-19)28-29(24)22-12-8-5-9-13-22/h4-18H,1-3H3,(H,27,30)
InChIKey	InChI	1.03	GTSXKUJFTQTICP-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(nn2c3ccccc3)c4ccccc4
SMILES	CACTVS	3.385	CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(nn2c3ccccc3)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(nn2c3ccccc3)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(nn2c3ccccc3)c4ccccc4

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