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NP7

Summary
Name:2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
Formula:C18 H19 Cl N4 O3
Formal charge:0
Formula weight:374.821 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
OpenEye OEToolkits1.7.22-chloranyl-N-[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccccc1C(=O)Nc3c(N2CCN(C)CC2)ccc([N+]([O-])=O)c3
InChIInChI1.03InChI=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)
InChIKeyInChI1.03WOGZFCMBPXJNFI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CN1CCN(CC1)c2ccc(cc2NC(=O)c3ccccc3Cl)[N+]([O-])=O
SMILESCACTVS3.370CN1CCN(CC1)c2ccc(cc2NC(=O)c3ccccc3Cl)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.7.2CN1CCN(CC1)c2ccc(cc2NC(=O)c3ccccc3Cl)[N+](=O)[O-]
SMILESOpenEye OEToolkits1.7.2CN1CCN(CC1)c2ccc(cc2NC(=O)c3ccccc3Cl)[N+](=O)[O-]

248335

PDB entries from 2026-01-28

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