ND6

6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile

Created:	2022-03-31
Last modified:	2023-03-29

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1 entries where ND6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	1
Bond Count	52
Aromatic Bond Count	12

2D diagram of ND6

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Chemical Component Summary
Name	6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile
Systematic Name (OpenEye OEToolkits)	6-[4-[2-[4-[(2~{R})-1-oxidanylpropan-2-yl]phenyl]ethanoyl]piperazin-1-yl]pyridazine-3-carbonitrile
Formula	C₂₀ H₂₃ N₅ O₂
Molecular Weight	365.429
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Cc1ccc(cc1)C(C)CO)N1CCN(CC1)c1ccc(C#N)nn1
SMILES	CACTVS	3.385	C[CH](CO)c1ccc(CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)cc1
SMILES	OpenEye OEToolkits	2.0.7	CC(CO)c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N
Canonical SMILES	CACTVS	3.385	C[C@@H](CO)c1ccc(CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@H](CO)c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N
InChI	InChI	1.03	InChI=1S/C20H23N5O2/c1-15(14-26)17-4-2-16(3-5-17)12-20(27)25-10-8-24(9-11-25)19-7-6-18(13-21)22-23-19/h2-7,15,26H,8-12,14H2,1H3/t15-/m0/s1
InChIKey	InChI	1.03	YTRLPBJDLDKLMQ-HNNXBMFYSA-N

Related Resource References

Resource Name	Reference
PubChem	167530302

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