1-(3-bromophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(3-bromophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-(3-bromophenyl)-N-methyl-N-[(2-morpholinophenyl)methyl]triazole-4-carboxamide CAS Name: 1-(3-bromophenyl)-N-methyl-N-[[2-(4-morpholinyl)phenyl]methyl]-4-triazolecarboxamide IUPAC Name: 1-(3-bromophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]triazole-4-carboxamide Traditional Name: 1-(3-bromophenyl)-N-methyl-N-(2-morpholinobenzyl)triazole-4-carboxamide Formula: C21H22BrN5O2 MolecularWeight: 456.33568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1N2CCOCC2)C(=O)C3=CN(N=N3)C4=CC(=CC=C4)Br

Isomeric SMILES

CN(CC1=CC=CC=C1N2CCOCC2)C(=O)C3=CN(N=N3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H22BrN5O2/c1-25(14-16-5-2-3-8-20(16)26-9-11-29-12-10-26)21(28)19-15-27(24-23-19)18-7-4-6-17(22)13-18/h2-8,13,15H,9-12,14H2,1H3