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33A

Summary
Name:N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE
Formula:C21 H17 Cl N4 O
Formal charge:0
Formula weight:376.839 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-benzyl-4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H-pyrrole-2-carboxamide
OpenEye OEToolkits1.5.04-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-(phenylmethyl)-1H-pyrrole-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NCc1ccccc1)c4cc(c3nncc3c2cc(Cl)ccc2)cn4
SMILES_CANONICALCACTVS3.341Clc1cccc(c1)c2c[nH]nc2c3c[nH]c(c3)C(=O)NCc4ccccc4
SMILESCACTVS3.341Clc1cccc(c1)c2c[nH]nc2c3c[nH]c(c3)C(=O)NCc4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)CNC(=O)c2cc(c[nH]2)c3c(c[nH]n3)c4cccc(c4)Cl
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CNC(=O)c2cc(c[nH]2)c3c(c[nH]n3)c4cccc(c4)Cl
InChIInChI1.03InChI=1S/C21H17ClN4O/c22-17-8-4-7-15(9-17)18-13-25-26-20(18)16-10-19(23-12-16)21(27)24-11-14-5-2-1-3-6-14/h1-10,12-13,23H,11H2,(H,24,27)(H,25,26)
InChIKeyInChI1.03PDJZASCRQRBYQS-UHFFFAOYSA-N

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PDB entries from 2024-07-24

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