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

Systemtic Name: 1-(3-bromophenyl)-5-oxidanylidene-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide Openeye Name: 1-(3-bromophenyl)-5-oxo-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide CAS Name: 1-(3-bromophenyl)-5-oxo-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(3-bromophenyl)-5-oxo-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide Traditional Name: 1-(3-bromophenyl)-5-keto-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]pyrrolidine-3-carboxamide Formula: C21H20BrN5O2 MolecularWeight: 454.3198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC(=CC=C2)Br)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C1C(CN(C1=O)C2=CC(=CC=C2)Br)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C21H20BrN5O2/c22-18-2-1-3-19(9-18)27-12-17(8-20(27)28)21(29)24-10-15-4-6-16(7-5-15)11-26-14-23-13-25-26/h1-7,9,13-14,17H,8,10-12H2,(H,24,29)