ODH

N-(furan-2-ylmethyl)quinoxaline-6-carboxamide

Created:	2012-10-08
Last modified:	2013-06-26

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1 entries where ODH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	16

2D diagram of ODH

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Chemical Component Summary
Name	N-(furan-2-ylmethyl)quinoxaline-6-carboxamide
Systematic Name (OpenEye OEToolkits)	N-(furan-2-ylmethyl)quinoxaline-6-carboxamide
Formula	C₁₄ H₁₁ N₃ O₂
Molecular Weight	253.256
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCc1occc1)c3cc2nccnc2cc3
SMILES	CACTVS	3.370	O=C(NCc1occc1)c2ccc3nccnc3c2
SMILES	OpenEye OEToolkits	1.7.6	c1cc(oc1)CNC(=O)c2ccc3c(c2)nccn3
Canonical SMILES	CACTVS	3.370	O=C(NCc1occc1)c2ccc3nccnc3c2
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(oc1)CNC(=O)c2ccc3c(c2)nccn3
InChI	InChI	1.03	InChI=1S/C14H11N3O2/c18-14(17-9-11-2-1-7-19-11)10-3-4-12-13(8-10)16-6-5-15-12/h1-8H,9H2,(H,17,18)
InChIKey	InChI	1.03	HNDVFGAJLBLXDW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2978966
ChEMBL	CHEMBL1408855

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