1-(3-bromophenyl)-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(3-bromophenyl)-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-(3-bromophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]triazole-4-carboxamide CAS Name: 1-(3-bromophenyl)-N-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]-4-triazolecarboxamide IUPAC Name: 1-(3-bromophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]triazole-4-carboxamide Traditional Name: 1-(3-bromophenyl)-N-[4-(pyrrolidine-1-carbonyl)benzyl]triazole-4-carboxamide Formula: C21H20BrN5O2 MolecularWeight: 454.3198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)C3=CN(N=N3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)C3=CN(N=N3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H20BrN5O2/c22-17-4-3-5-18(12-17)27-14-19(24-25-27)20(28)23-13-15-6-8-16(9-7-15)21(29)26-10-1-2-11-26/h3-9,12,14H,1-2,10-11,13H2,(H,23,28)