1-(3-bromophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(3-bromophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-(3-bromophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]triazole-4-carboxamide CAS Name: 1-(3-bromophenyl)-N-[2-methyl-5-[(2-methyl-1-oxopropyl)amino]phenyl]-4-triazolecarboxamide IUPAC Name: 1-(3-bromophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]triazole-4-carboxamide Traditional Name: 1-(3-bromophenyl)-N-[5-(isobutyrylamino)-2-methyl-phenyl]triazole-4-carboxamide Formula: C20H20BrN5O2 MolecularWeight: 442.3091

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)C2=CN(N=N2)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)C2=CN(N=N2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H20BrN5O2/c1-12(2)19(27)22-15-8-7-13(3)17(10-15)23-20(28)18-11-26(25-24-18)16-6-4-5-14(21)9-16/h4-12H,1-3H3,(H,22,27)(H,23,28)