N-[4-(1-methylimidazol-2-yl)carbonylphenyl]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[4-(1-methylimidazol-2-yl)carbonylphenyl]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-benzyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]triazole-4-carboxamide CAS Name: N-[4-[(1-methyl-2-imidazolyl)-oxomethyl]phenyl]-1-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 1-benzyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]triazole-4-carboxamide Traditional Name: 1-benzyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]triazole-4-carboxamide Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(=O)C2=CC=C(C=C2)NC(=O)C3=CN(N=N3)CC4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1C(=O)C2=CC=C(C=C2)NC(=O)C3=CN(N=N3)CC4=CC=CC=C4

InChI

InChI=1S/C21H18N6O2/c1-26-12-11-22-20(26)19(28)16-7-9-17(10-8-16)23-21(29)18-14-27(25-24-18)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,23,29)