3-[3-[3-(1,3-benzodioxol-5-ylamino)-1H-1,2,4-triazol-5-yl]pyridin-2-yl]oxy-5-methoxy-phenol

Systemtic Name: 3-[3-[3-(1,3-benzodioxol-5-ylamino)-1H-1,2,4-triazol-5-yl]pyridin-2-yl]oxy-5-methoxy-phenol Openeye Name: 3-[[3-[3-(1,3-benzodioxol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-pyridyl]oxy]-5-methoxy-phenol CAS Name: 3-[[3-[3-(1,3-benzodioxol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-pyridinyl]oxy]-5-methoxyphenol IUPAC Name: 3-[3-[3-(1,3-benzodioxol-5-ylamino)-1H-1,2,4-triazol-5-yl]pyridin-2-yl]oxy-5-methoxyphenol Traditional Name: 3-[[3-[3-(1,3-benzodioxol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-pyridyl]oxy]-5-methoxy-phenol Formula: C21H17N5O5 MolecularWeight: 419.39018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)OC2=C(C=CC=N2)C3=NC(=NN3)NC4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

COC1=CC(=CC(=C1)OC2=C(C=CC=N2)C3=NC(=NN3)NC4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C21H17N5O5/c1-28-14-8-13(27)9-15(10-14)31-20-16(3-2-6-22-20)19-24-21(26-25-19)23-12-4-5-17-18(7-12)30-11-29-17/h2-10,27H,11H2,1H3,(H2,23,24,25,26)