92C

(3Z)-5-chloro-3-[(1-methyl-1H-pyrazol-4-yl)methylidene]-1,3-dihydro-2H-indol-2-one

Created:	2017-11-30
Last modified:	2018-12-05

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1 entries where 92C is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	11

2D diagram of 92C

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Chemical Component Summary
Name	(3Z)-5-chloro-3-[(1-methyl-1H-pyrazol-4-yl)methylidene]-1,3-dihydro-2H-indol-2-one
Systematic Name (OpenEye OEToolkits)	(3~{Z})-5-chloranyl-3-[(1-methylpyrazol-4-yl)methylidene]-1~{H}-indol-2-one
Formula	C₁₃ H₁₀ Cl N₃ O
Molecular Weight	259.691
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c32\C(=C\c1cnn(C)c1)C(Nc2ccc(c3)Cl)=O
SMILES	CACTVS	3.385	Cn1cc(cn1)C=C2C(=O)Nc3ccc(Cl)cc23
SMILES	OpenEye OEToolkits	2.0.6	Cn1cc(cn1)C=C2c3cc(ccc3NC2=O)Cl
Canonical SMILES	CACTVS	3.385	Cn1cc(cn1)/C=C/2C(=O)Nc3ccc(Cl)cc/23
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cn1cc(cn1)/C=C\2/c3cc(ccc3NC2=O)Cl
InChI	InChI	1.03	InChI=1S/C13H10ClN3O/c1-17-7-8(6-15-17)4-11-10-5-9(14)2-3-12(10)16-13(11)18/h2-7H,1H3,(H,16,18)/b11-4-
InChIKey	InChI	1.03	XTIZRVLWRIWWNV-WCIBSUBMSA-N

Related Resource References

Resource Name	Reference
PubChem	17404110

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.