DNK

(2~{S})-3-methyl-2-phenyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one

Created:	2018-01-24
Last modified:	2018-04-04

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1 entries where DNK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	1
Bond Count	54
Aromatic Bond Count	12

2D diagram of DNK

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Chemical Component Summary
Name	(2~{S})-3-methyl-2-phenyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
Systematic Name (OpenEye OEToolkits)	(2~{S})-3-methyl-2-phenyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
Formula	C₂₂ H₂₅ N O₃
Molecular Weight	351.439
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(C)[CH](C(=O)N1CCC2(CC1)Oc3ccccc3O2)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.6	CC(C)C(c1ccccc1)C(=O)N2CCC3(CC2)Oc4ccccc4O3
Canonical SMILES	CACTVS	3.385	CC(C)[C@H](C(=O)N1CCC2(CC1)Oc3ccccc3O2)c4ccccc4
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(C)[C@@H](c1ccccc1)C(=O)N2CCC3(CC2)Oc4ccccc4O3
InChI	InChI	1.03	InChI=1S/C22H25NO3/c1-16(2)20(17-8-4-3-5-9-17)21(24)23-14-12-22(13-15-23)25-18-10-6-7-11-19(18)26-22/h3-11,16,20H,12-15H2,1-2H3/t20-/m0/s1
InChIKey	InChI	1.03	RWIUNGUJHWADDD-FQEVSTJZSA-N

Related Resource References

Resource Name	Reference
PubChem	132473036

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