1-(2-bromophenyl)-5-oxidanylidene-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(2-bromophenyl)-5-oxidanylidene-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide Openeye Name: 1-(2-bromophenyl)-5-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide CAS Name: 1-(2-bromophenyl)-5-oxo-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(2-bromophenyl)-5-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide Traditional Name: 1-(2-bromophenyl)-5-keto-N-[2-(pyrazol-1-ylmethyl)benzyl]pyrrolidine-3-carboxamide Formula: C22H21BrN4O2 MolecularWeight: 453.33174

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC=CC=C2Br)C(=O)NCC3=CC=CC=C3CN4C=CC=N4

Isomeric SMILES

C1C(CN(C1=O)C2=CC=CC=C2Br)C(=O)NCC3=CC=CC=C3CN4C=CC=N4

InChI

InChI=1S/C22H21BrN4O2/c23-19-8-3-4-9-20(19)27-15-18(12-21(27)28)22(29)24-13-16-6-1-2-7-17(16)14-26-11-5-10-25-26/h1-11,18H,12-15H2,(H,24,29)