B7H

5-(7-fluoranyl-3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)-4-methyl-1H-pyrazole-3-carbonitrile

Created:	2015-03-08
Last modified:	2015-05-13

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1 entries where B7H is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	11

2D diagram of B7H

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Chemical Component Summary
Name	5-(7-fluoranyl-3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)-4-methyl-1H-pyrazole-3-carbonitrile
Systematic Name (OpenEye OEToolkits)	5-(7-fluoranyl-3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)-4-methyl-1H-pyrazole-3-carbonitrile
Formula	C₁₅ H₁₃ F N₄ O
Molecular Weight	284.288
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1c([nH]nc1C#N)c2cc(F)c3NC(=O)C(C)(C)c3c2
SMILES	OpenEye OEToolkits	1.7.6	Cc1c(n[nH]c1c2cc3c(c(c2)F)NC(=O)C3(C)C)C#N
Canonical SMILES	CACTVS	3.385	Cc1c([nH]nc1C#N)c2cc(F)c3NC(=O)C(C)(C)c3c2
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1c(n[nH]c1c2cc3c(c(c2)F)NC(=O)C3(C)C)C#N
InChI	InChI	1.03	InChI=1S/C15H13FN4O/c1-7-11(6-17)19-20-12(7)8-4-9-13(10(16)5-8)18-14(21)15(9,2)3/h4-5H,1-3H3,(H,18,21)(H,19,20)
InChIKey	InChI	1.03	OQCSCPAZLQNXQT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	91754988

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