4-ethanoyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-ethanoyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-N-[2-(pyrazol-1-ylmethyl)benzyl]-1H-pyrrole-2-carboxamide Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)NCC2=CC=CC=C2CN3C=CC=N3

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)NCC2=CC=CC=C2CN3C=CC=N3

InChI

InChI=1S/C18H18N4O2/c1-13(23)16-9-17(19-11-16)18(24)20-10-14-5-2-3-6-15(14)12-22-8-4-7-21-22/h2-9,11,19H,10,12H2,1H3,(H,20,24)