N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-3-bromanyl-benzamide

Systemtic Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-3-bromanyl-benzamide Openeye Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-3-bromo-benzamide CAS Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-3-bromobenzamide IUPAC Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-3-bromobenzamide Traditional Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-3-bromo-benzamide Formula: C23H17BrN4O4 MolecularWeight: 493.30948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

COC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C23H17BrN4O4/c1-30-23-26-21(14-5-10-19-20(12-14)32-13-31-19)28(27-23)18-8-6-17(7-9-18)25-22(29)15-3-2-4-16(24)11-15/h2-12H,13H2,1H3,(H,25,29)