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

Systemtic Name: 1-(3-bromophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-(3-bromophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]triazole-4-carboxamide CAS Name: 1-(3-bromophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-triazolecarboxamide IUPAC Name: 1-(3-bromophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]triazole-4-carboxamide Traditional Name: 1-(3-bromophenyl)-N-[4-(diethylaminomethyl)benzyl]triazole-4-carboxamide Formula: C21H24BrN5O MolecularWeight: 442.35216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN5O/c1-3-26(4-2)14-17-10-8-16(9-11-17)13-23-21(28)20-15-27(25-24-20)19-7-5-6-18(22)12-19/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,28)