2O1

2,3-dihydrobenzo[h][1,6]naphthyridin-4(1H)-one

Created:	2013-12-12
Last modified:	2013-12-25

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1 entries where 2O1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	11

2D diagram of 2O1

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Chemical Component Summary
Name	2,3-dihydrobenzo[h][1,6]naphthyridin-4(1H)-one
Systematic Name (OpenEye OEToolkits)	2,3-dihydro-1H-benzo[h][1,6]naphthyridin-4-one
Formula	C₁₂ H₁₀ N₂ O
Molecular Weight	198.221
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C3c2cnc1ccccc1c2NCC3
SMILES	CACTVS	3.385	O=C1CCNc2c1cnc3ccccc23
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)c3c(cn2)C(=O)CCN3
Canonical SMILES	CACTVS	3.385	O=C1CCNc2c1cnc3ccccc23
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)c3c(cn2)C(=O)CCN3
InChI	InChI	1.03	InChI=1S/C12H10N2O/c15-11-5-6-13-12-8-3-1-2-4-10(8)14-7-9(11)12/h1-4,7,13H,5-6H2
InChIKey	InChI	1.03	PTMYWDHBZAMKMN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	929187

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