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L10

Summary
Name:N-[(3Z)-5-TERT-BUTYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-YLIDENE]-N'-(4-CHLOROPHENYL)UREA
Formula:C20 H21 Cl N4 O
Formal charge:0
Formula weight:368.86 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-[(3E)-5-tert-butyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene]-3-(4-chlorophenyl)urea
OpenEye OEToolkits1.5.01-(5-tert-butyl-2-phenyl-1H-pyrazol-3-ylidene)-3-(4-chlorophenyl)urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1ccc(cc1)NC(=O)/N=C3\C=C(NN3c2ccccc2)C(C)(C)C
SMILES_CANONICALCACTVS3.341CC(C)(C)C1=CC(=NC(=O)Nc2ccc(Cl)cc2)N(N1)c3ccccc3
SMILESCACTVS3.341CC(C)(C)C1=CC(=NC(=O)Nc2ccc(Cl)cc2)N(N1)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)(C)C1=CC(=NC(=O)Nc2ccc(cc2)Cl)N(N1)c3ccccc3
SMILESOpenEye OEToolkits1.5.0CC(C)(C)C1=CC(=NC(=O)Nc2ccc(cc2)Cl)N(N1)c3ccccc3
InChIInChI1.03InChI=1S/C20H21ClN4O/c1-20(2,3)17-13-18(25(24-17)16-7-5-4-6-8-16)23-19(26)22-15-11-9-14(21)10-12-15/h4-13,24H,1-3H3,(H,22,26)/b23-18+
InChIKeyInChI1.03PEGHHVFLTANTIZ-PTGBLXJZSA-N

222415

PDB entries from 2024-07-10

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