S7D

1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone

Created:	2020-03-05
Last modified:	2020-08-20

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2 entries where S7D is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	1
Bond Count	31
Aromatic Bond Count	5

2D diagram of S7D

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Chemical Component Summary
Name	1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone
Systematic Name (OpenEye OEToolkits)	1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone
Formula	C₁₀ H₁₅ N₃ O₂
Molecular Weight	209.245
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH]1CN(CCO1)C(=O)Cn2cccn2
SMILES	OpenEye OEToolkits	2.0.6	CC1CN(CCO1)C(=O)Cn2cccn2
Canonical SMILES	CACTVS	3.385	C[C@H]1CN(CCO1)C(=O)Cn2cccn2
Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@H]1CN(CCO1)C(=O)Cn2cccn2
InChI	InChI	1.03	InChI=1S/C10H15N3O2/c1-9-7-12(5-6-15-9)10(14)8-13-4-2-3-11-13/h2-4,9H,5-8H2,1H3/t9-/m0/s1
InChIKey	InChI	1.03	YJMLTHJLDUBVIC-VIFPVBQESA-N

Related Resource References

Resource Name	Reference
PubChem	94171767

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