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1GK

Summary
Name:N-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1H-pyrrole-2-carboxamide
Formula:C18 H16 N2 O3
Formal charge:0
Formula weight:308.331 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(furan-2-ylmethyl)-4-(2-methylbenzoyl)-1H-pyrrole-2-carboxamide
OpenEye OEToolkits1.7.0N-(furan-2-ylmethyl)-4-(2-methylphenyl)carbonyl-1H-pyrrole-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NCc1occc1)c3cc(C(=O)c2ccccc2C)cn3
SMILES_CANONICALCACTVS3.370Cc1ccccc1C(=O)c2c[nH]c(c2)C(=O)NCc3occc3
SMILESCACTVS3.370Cc1ccccc1C(=O)c2c[nH]c(c2)C(=O)NCc3occc3
SMILES_CANONICALOpenEye OEToolkits1.7.0Cc1ccccc1C(=O)c2cc([nH]c2)C(=O)NCc3ccco3
SMILESOpenEye OEToolkits1.7.0Cc1ccccc1C(=O)c2cc([nH]c2)C(=O)NCc3ccco3
InChIInChI1.03InChI=1S/C18H16N2O3/c1-12-5-2-3-7-15(12)17(21)13-9-16(19-10-13)18(22)20-11-14-6-4-8-23-14/h2-10,19H,11H2,1H3,(H,20,22)
InChIKeyInChI1.03UTEGJWUIPAWNBB-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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