JFT

3-azanyl-5-[3-chloranyl-1-(pyridin-3-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile

Created:	2019-02-19
Last modified:	2019-09-18

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1 entries where JFT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	21

2D diagram of JFT

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Chemical Component Summary
Name	3-azanyl-5-[3-chloranyl-1-(pyridin-3-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
Systematic Name (OpenEye OEToolkits)	3-azanyl-5-[3-chloranyl-1-(pyridin-3-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
Formula	C₁₈ H₁₃ Cl N₆
Molecular Weight	348.789
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1n[nH]c(c2ccc3c(Cl)cn(Cc4cccnc4)c3c2)c1C#N
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cnc1)Cn2cc(c3c2cc(cc3)c4c(c(n[nH]4)N)C#N)Cl
Canonical SMILES	CACTVS	3.385	Nc1n[nH]c(c2ccc3c(Cl)cn(Cc4cccnc4)c3c2)c1C#N
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(cnc1)Cn2cc(c3c2cc(cc3)c4c(c(n[nH]4)N)C#N)Cl
InChI	InChI	1.03	InChI=1S/C18H13ClN6/c19-15-10-25(9-11-2-1-5-22-8-11)16-6-12(3-4-13(15)16)17-14(7-20)18(21)24-23-17/h1-6,8,10H,9H2,(H3,21,23,24)
InChIKey	InChI	1.03	AJLPROLDTQRMOM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	139030491

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