1-(2-bromophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(2-bromophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-(2-bromophenyl)-N-[[4-(isopropylcarbamoylamino)phenyl]methyl]triazole-4-carboxamide CAS Name: 1-(2-bromophenyl)-N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]-4-triazolecarboxamide IUPAC Name: 1-(2-bromophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]triazole-4-carboxamide Traditional Name: 1-(2-bromophenyl)-N-[4-(isopropylcarbamoylamino)benzyl]triazole-4-carboxamide Formula: C20H21BrN6O2 MolecularWeight: 457.32374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CN(N=N2)C3=CC=CC=C3Br

Isomeric SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CN(N=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C20H21BrN6O2/c1-13(2)23-20(29)24-15-9-7-14(8-10-15)11-22-19(28)17-12-27(26-25-17)18-6-4-3-5-16(18)21/h3-10,12-13H,11H2,1-2H3,(H,22,28)(H2,23,24,29)