97K

2-(2~{H}-indazol-5-yl)-3~{H}-quinazolin-4-one

Created:	2017-04-27
Last modified:	2018-03-07

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1 entries where 97K is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	16

2D diagram of 97K

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Chemical Component Summary
Name	2-(2~{H}-indazol-5-yl)-3~{H}-quinazolin-4-one
Systematic Name (OpenEye OEToolkits)	2-(2~{H}-indazol-5-yl)-3~{H}-quinazolin-4-one
Formula	C₁₅ H₁₀ N₄ O
Molecular Weight	262.266
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C1NC(=Nc2ccccc12)c3ccc4n[nH]cc4c3
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)C(=O)NC(=N2)c3ccc4c(c3)c[nH]n4
Canonical SMILES	CACTVS	3.385	O=C1NC(=Nc2ccccc12)c3ccc4n[nH]cc4c3
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)C(=O)NC(=N2)c3ccc4c(c3)c[nH]n4
InChI	InChI	1.03	InChI=1S/C15H10N4O/c20-15-11-3-1-2-4-13(11)17-14(18-15)9-5-6-12-10(7-9)8-16-19-12/h1-8H,(H,16,19)(H,17,18,20)
InChIKey	InChI	1.03	VEKANGQPHIRFNR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135567242, 60162011

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