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

Systemtic Name: N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-1-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[[4-(3-bromophenyl)tetrahydropyran-4-yl]methyl]-1-phenyl-triazole-4-carboxamide CAS Name: N-[[4-(3-bromophenyl)-4-oxanyl]methyl]-1-phenyl-4-triazolecarboxamide IUPAC Name: N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-1-phenyltriazole-4-carboxamide Traditional Name: N-[[4-(3-bromophenyl)tetrahydropyran-4-yl]methyl]-1-phenyl-triazole-4-carboxamide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(CNC(=O)C2=CN(N=N2)C3=CC=CC=C3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1COCCC1(CNC(=O)C2=CN(N=N2)C3=CC=CC=C3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H21BrN4O2/c22-17-6-4-5-16(13-17)21(9-11-28-12-10-21)15-23-20(27)19-14-26(25-24-19)18-7-2-1-3-8-18/h1-8,13-14H,9-12,15H2,(H,23,27)