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

Systemtic Name: 1-(3-bromophenyl)-5-oxidanylidene-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide Openeye Name: 1-(3-bromophenyl)-5-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide CAS Name: 1-(3-bromophenyl)-5-oxo-N-[3-(1-pyrazolylmethyl)phenyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(3-bromophenyl)-5-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide Traditional Name: 1-(3-bromophenyl)-5-keto-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide Formula: C21H19BrN4O2 MolecularWeight: 439.30516

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC(=CC=C2)Br)C(=O)NC3=CC=CC(=C3)CN4C=CC=N4

Isomeric SMILES

C1C(CN(C1=O)C2=CC(=CC=C2)Br)C(=O)NC3=CC=CC(=C3)CN4C=CC=N4

InChI

InChI=1S/C21H19BrN4O2/c22-17-5-2-7-19(12-17)26-14-16(11-20(26)27)21(28)24-18-6-1-4-15(10-18)13-25-9-3-8-23-25/h1-10,12,16H,11,13-14H2,(H,24,28)