N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxamide CAS Name: N-[2-[(4-bromophenyl)methyl]-3-pyrazolyl]-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[2-(4-bromobenzyl)pyrazol-3-yl]-5-keto-1-(p-tolyl)pyrrolidine-3-carboxamide Formula: C22H21BrN4O2 MolecularWeight: 453.33174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=NN3CC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=NN3CC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H21BrN4O2/c1-15-2-8-19(9-3-15)26-14-17(12-21(26)28)22(29)25-20-10-11-24-27(20)13-16-4-6-18(23)7-5-16/h2-11,17H,12-14H2,1H3,(H,25,29)