1-(4-bromophenyl)-5-oxidanylidene-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(4-bromophenyl)-5-oxidanylidene-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide Openeye Name: 1-(4-bromophenyl)-5-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide CAS Name: 1-(4-bromophenyl)-5-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-bromophenyl)-5-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide Traditional Name: 1-(4-bromophenyl)-5-keto-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide Formula: C20H18BrN5O2 MolecularWeight: 440.29322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN5O2/c21-16-3-7-18(8-4-16)26-11-15(9-19(26)27)20(28)24-17-5-1-14(2-6-17)10-25-13-22-12-23-25/h1-8,12-13,15H,9-11H2,(H,24,28)