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SummaryGeometryRelated PDB entries

B6C

Summary
Name:2-{[2,6-dichloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino}-N-hydroxybenzamide
Formula:C18 H16 Cl2 N4 O2
Formal charge:0
Formula weight:391.251 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-{[2,6-dichloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino}-N-hydroxybenzamide
OpenEye OEToolkits2.0.62-[[2,6-bis(chloranyl)-4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)phenyl]amino]-~{N}-oxidanyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(c(c(Cl)cc(c1)c2c(C)nnc2C)Nc3ccccc3C(NO)=O)Cl
InChIInChI1.03InChI=1S/C18H16Cl2N4O2/c1-9-16(10(2)23-22-9)11-7-13(19)17(14(20)8-11)21-15-6-4-3-5-12(15)18(25)24-26/h3-8,21,26H,1-2H3,(H,22,23)(H,24,25)
InChIKeyInChI1.03UMQKDDMRCQAIGA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1[nH]nc(C)c1c2cc(Cl)c(Nc3ccccc3C(=O)NO)c(Cl)c2
SMILESCACTVS3.385Cc1[nH]nc(C)c1c2cc(Cl)c(Nc3ccccc3C(=O)NO)c(Cl)c2
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1c(c(n[nH]1)C)c2cc(c(c(c2)Cl)Nc3ccccc3C(=O)NO)Cl
SMILESOpenEye OEToolkits2.0.6Cc1c(c(n[nH]1)C)c2cc(c(c(c2)Cl)Nc3ccccc3C(=O)NO)Cl

221051

PDB entries from 2024-06-12

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