NP7

2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide

Created:	2011-07-08
Last modified:	2011-07-08

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1 entries where NP7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	12

2D diagram of NP7

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Chemical Component Summary
Name	2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
Systematic Name (OpenEye OEToolkits)	2-chloranyl-N-[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]benzamide
Formula	C₁₈ H₁₉ Cl N₄ O₃
Molecular Weight	374.821
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccccc1C(=O)Nc3c(N2CCN(C)CC2)ccc([N+]([O-])=O)c3
SMILES	CACTVS	3.370	CN1CCN(CC1)c2ccc(cc2NC(=O)c3ccccc3Cl)[N+]([O-])=O
SMILES	OpenEye OEToolkits	1.7.2	CN1CCN(CC1)c2ccc(cc2NC(=O)c3ccccc3Cl)[N+](=O)[O-]
Canonical SMILES	CACTVS	3.370	CN1CCN(CC1)c2ccc(cc2NC(=O)c3ccccc3Cl)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.7.2	CN1CCN(CC1)c2ccc(cc2NC(=O)c3ccccc3Cl)[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C18H19ClN4O3/c1-21-8-10-22(11-9-21)17-7-6-13(23(25)26)12-16(17)20-18(24)14-4-2-3-5-15(14)19/h2-7,12H,8-11H2,1H3,(H,20,24)
InChIKey	InChI	1.03	WOGZFCMBPXJNFI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2965974
ChEMBL	CHEMBL1609857

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