LJV

6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methylpyridine-3-carbonitrile

Created:	2019-02-27
Last modified:	2019-06-26

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1 entries where LJV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	12

2D diagram of LJV

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Chemical Component Summary
Name	6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methylpyridine-3-carbonitrile
Systematic Name (OpenEye OEToolkits)	6-[(6-chloranyl-2-oxidanylidene-1~{H}-quinolin-3-yl)methylamino]-2-methyl-pyridine-3-carbonitrile
Formula	C₁₇ H₁₃ Cl N₄ O
Molecular Weight	324.764
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc2ccc1NC(=O)C(=Cc1c2)CNc3nc(C)c(cc3)C#N
SMILES	CACTVS	3.385	Cc1nc(NCC2=Cc3cc(Cl)ccc3NC2=O)ccc1C#N
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(ccc(n1)NCC2=Cc3cc(ccc3NC2=O)Cl)C#N
Canonical SMILES	CACTVS	3.385	Cc1nc(NCC2=Cc3cc(Cl)ccc3NC2=O)ccc1C#N
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(ccc(n1)NCC2=Cc3cc(ccc3NC2=O)Cl)C#N
InChI	InChI	1.03	InChI=1S/C17H13ClN4O/c1-10-11(8-19)2-5-16(21-10)20-9-13-6-12-7-14(18)3-4-15(12)22-17(13)23/h2-7H,9H2,1H3,(H,20,21)(H,22,23)
InChIKey	InChI	1.03	BPIFALCAPCGTGS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	118956132

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