A1ABM

(6aR,8R,12R,12aS)-2-methyl-6a,10,11,12a-tetrahydro-6H,7H,9H-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one

Created:	2024-01-04
Last modified:	2024-01-24

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1 entries where A1ABM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	2
Bond Count	37
Aromatic Bond Count	6

2D diagram of A1ABM

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Chemical Component Summary
Name	(6aR,8R,12R,12aS)-2-methyl-6a,10,11,12a-tetrahydro-6H,7H,9H-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one
Systematic Name (OpenEye OEToolkits)	(1~{S},10~{R})-4-methyl-8-oxa-12,16-diazatetracyclo[8.6.0.0^{2,7}.0^{12,16}]hexadeca-2,4,6-trien-13-one
Formula	C₁₄ H₁₆ N₂ O₂
Molecular Weight	244.289
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1cc2C3N4CCC(=O)N4CC3COc2cc1
SMILES	CACTVS	3.385	Cc1ccc2OC[CH]3CN4N(CCC4=O)[CH]3c2c1
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc2c(c1)C3C(CN4N3CCC4=O)CO2
Canonical SMILES	CACTVS	3.385	Cc1ccc2OC[C@@H]3CN4N(CCC4=O)[C@@H]3c2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc2c(c1)[C@@H]3[C@@H](CN4N3CCC4=O)CO2
InChI	InChI	1.06	InChI=1S/C14H16N2O2/c1-9-2-3-12-11(6-9)14-10(8-18-12)7-16-13(17)4-5-15(14)16/h2-3,6,10,14H,4-5,7-8H2,1H3/t10-,14-/m0/s1
InChIKey	InChI	1.06	HJFKKRPETMIKDW-HZMBPMFUSA-N

Related Resource References

Resource Name	Reference
PubChem	169552789

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