MXQ

(1~{R},9~{S})-5-(3-oxidanylpropyl)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one

Created:	2019-10-29
Last modified:	2020-02-12

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1 entries where MXQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	2
Bond Count	40
Aromatic Bond Count	0

2D diagram of MXQ

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Chemical Component Summary
Name	(1~{R},9~{S})-5-(3-oxidanylpropyl)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one
Systematic Name (OpenEye OEToolkits)	(1~{R},9~{S})-5-(3-oxidanylpropyl)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one
Formula	C₁₄ H₂₀ N₂ O₂
Molecular Weight	248.321
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OCCCC1=CC=C2[CH]3CNC[CH](C3)CN2C1=O
SMILES	OpenEye OEToolkits	2.0.7	C1C2CNCC1C3=CC=C(C(=O)N3C2)CCCO
Canonical SMILES	CACTVS	3.385	OCCCC1=CC=C2[C@H]3CNC[C@H](C3)CN2C1=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1[C@H]2CNC[C@@H]1C3=CC=C(C(=O)N3C2)CCCO
InChI	InChI	1.03	InChI=1S/C14H20N2O2/c17-5-1-2-11-3-4-13-12-6-10(7-15-8-12)9-16(13)14(11)18/h3-4,10,12,15,17H,1-2,5-9H2/t10-,12+/m0/s1
InChIKey	InChI	1.03	JXEXVCIRYVIYEW-CMPLNLGQSA-N

Related Resource References

Resource Name	Reference
PubChem	145946088

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