6OJ

7,8-bis(chloranyl)-9-methyl-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one

Created:	2012-05-03
Last modified:	2021-03-01

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1 entries where 6OJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	10

2D diagram of 6OJ

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Chemical Component Summary
Name	7,8-bis(chloranyl)-9-methyl-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
Synonyms	Dihydro-Bauerine C
Systematic Name (OpenEye OEToolkits)	7,8-bis(chloranyl)-9-methyl-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
Formula	C₁₂ H₁₀ Cl₂ N₂ O
Molecular Weight	269.127
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccc2c(c1Cl)n(c3c2CCNC3=O)C
SMILES	CACTVS	3.385	Cn1c2C(=O)NCCc2c3ccc(Cl)c(Cl)c13
SMILES	OpenEye OEToolkits	1.9.2	Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NCC3
Canonical SMILES	CACTVS	3.385	Cn1c2C(=O)NCCc2c3ccc(Cl)c(Cl)c13
Canonical SMILES	OpenEye OEToolkits	1.9.2	Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NCC3
InChI	InChI	1.03	InChI=1S/C12H10Cl2N2O/c1-16-10-6(2-3-8(13)9(10)14)7-4-5-15-12(17)11(7)16/h2-3H,4-5H2,1H3,(H,15,17)
InChIKey	InChI	1.03	MYIBLDZPAOEFTB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	16750616

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