NZD

4-methyl-N-phenylpiperazine-1-carboxamide

Created:	2019-05-29
Last modified:	2019-07-10

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4 entries where NZD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	6

2D diagram of NZD

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Chemical Component Summary
Name	4-methyl-N-phenylpiperazine-1-carboxamide
Systematic Name (OpenEye OEToolkits)	4-methyl-~{N}-phenyl-piperazine-1-carboxamide
Formula	C₁₂ H₁₇ N₃ O
Molecular Weight	219.283
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N1(CCN(CC1)C(Nc2ccccc2)=O)C
SMILES	CACTVS	3.385	CN1CCN(CC1)C(=O)Nc2ccccc2
SMILES	OpenEye OEToolkits	2.0.6	CN1CCN(CC1)C(=O)Nc2ccccc2
Canonical SMILES	CACTVS	3.385	CN1CCN(CC1)C(=O)Nc2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	CN1CCN(CC1)C(=O)Nc2ccccc2
InChI	InChI	1.03	InChI=1S/C12H17N3O/c1-14-7-9-15(10-8-14)12(16)13-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,16)
InChIKey	InChI	1.03	SXNAOFHNRSEHNL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	762797
ChEMBL	CHEMBL1622367

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.