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251

Summary
Name:N-[amino(imino)methyl]-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide
Formula:C19 H18 N4 O
Formal charge:0
Formula weight:318.372 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-carbamimidoyl-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide
OpenEye OEToolkits1.5.0N-carbamimidoyl-2-(2,5-diphenylpyrrol-1-yl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NC(=[N@H])N)Cn2c(ccc2c1ccccc1)c3ccccc3
SMILES_CANONICALCACTVS3.341NC(=N)NC(=O)Cn1c(ccc1c2ccccc2)c3ccccc3
SMILESCACTVS3.341NC(=N)NC(=O)Cn1c(ccc1c2ccccc2)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.5.0[H]/N=C(\N)/NC(=O)Cn1c(ccc1c2ccccc2)c3ccccc3
SMILESOpenEye OEToolkits1.5.0[H]N=C(N)NC(=O)Cn1c(ccc1c2ccccc2)c3ccccc3
InChIInChI1.03InChI=1S/C19H18N4O/c20-19(21)22-18(24)13-23-16(14-7-3-1-4-8-14)11-12-17(23)15-9-5-2-6-10-15/h1-12H,13H2,(H4,20,21,22,24)
InChIKeyInChI1.03WVLDNAVUCUAGDP-UHFFFAOYSA-N

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PDB entries from 2024-05-01

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