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Summary

Name:	N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-nitrobenzamide
Synonyms:	N-(1,3-Diphenyl-1H-pyrazolo-5-yl)-4-nitrobenzamide ~{N}-(2,5-diphenylpyrazol-3-yl)-4-nitro-benzamide; VU29
Formula:	C22 H16 N4 O3
Formal charge:	0
Formula weight:	384.387 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-nitrobenzamide
OpenEye OEToolkits	3.1.0.0	~{N}-(2,5-diphenylpyrazol-3-yl)-4-nitro-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	[O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(nn1c1ccccc1)c1ccccc1
InChI	InChI	1.06	InChI=1S/C22H16N4O3/c27-22(17-11-13-19(14-12-17)26(28)29)23-21-15-20(16-7-3-1-4-8-16)24-25(21)18-9-5-2-6-10-18/h1-15H,(H,23,27)
InChIKey	InChI	1.06	KIALCSMRIHRFPL-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	[O-][N+](=O)c1ccc(cc1)C(=O)Nc2cc(nn2c3ccccc3)c4ccccc4
SMILES	CACTVS	3.385	[O-][N+](=O)c1ccc(cc1)C(=O)Nc2cc(nn2c3ccccc3)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	c1ccc(cc1)c2cc(n(n2)c3ccccc3)NC(=O)c4ccc(cc4)[N+](=O)[O-]
SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(cc1)c2cc(n(n2)c3ccccc3)NC(=O)c4ccc(cc4)[N+](=O)[O-]

254227

PDB entries from 2026-05-27

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