2-[4-methoxy-3-[(E)-3-phenylprop-2-enoxy]phenyl]-6-(1,2,4-triazol-1-yl)-1H-benzimidazole

Systemtic Name: 2-[4-methoxy-3-[(E)-3-phenylprop-2-enoxy]phenyl]-6-(1,2,4-triazol-1-yl)-1H-benzimidazole Openeye Name: 2-[3-[(E)-cinnamyl]oxy-4-methoxy-phenyl]-6-(1,2,4-triazol-1-yl)-1H-benzimidazole CAS Name: 2-[4-methoxy-3-[(E)-3-phenylprop-2-enoxy]phenyl]-6-(1,2,4-triazol-1-yl)-1H-benzimidazole IUPAC Name: 2-[4-methoxy-3-[(E)-3-phenylprop-2-enoxy]phenyl]-6-(1,2,4-triazol-1-yl)-1H-benzimidazole Traditional Name: 2-[3-[(E)-cinnamyl]oxy-4-methoxy-phenyl]-6-(1,2,4-triazol-1-yl)-1H-benzimidazole Formula: C25H21N5O2 MolecularWeight: 423.46654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(N2)C=C(C=C3)N4C=NC=N4)OCC=CC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(N2)C=C(C=C3)N4C=NC=N4)OC/C=C/C5=CC=CC=C5

InChI

InChI=1S/C25H21N5O2/c1-31-23-12-9-19(14-24(23)32-13-5-8-18-6-3-2-4-7-18)25-28-21-11-10-20(15-22(21)29-25)30-17-26-16-27-30/h2-12,14-17H,13H2,1H3,(H,28,29)/b8-5+