3-(1,3-benzodioxol-5-ylamino)-6-[(4-fluorophenyl)methyl]-2H-1,2,4-triazin-5-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylamino)-6-[(4-fluorophenyl)methyl]-2H-1,2,4-triazin-5-one Openeye Name: 3-(1,3-benzodioxol-5-ylamino)-6-[(4-fluorophenyl)methyl]-2H-1,2,4-triazin-5-one CAS Name: 3-(1,3-benzodioxol-5-ylamino)-6-[(4-fluorophenyl)methyl]-2H-1,2,4-triazin-5-one IUPAC Name: 3-(1,3-benzodioxol-5-ylamino)-6-[(4-fluorophenyl)methyl]-2H-1,2,4-triazin-5-one Traditional Name: 3-(1,3-benzodioxol-5-ylamino)-6-(4-fluorobenzyl)-2H-1,2,4-triazin-5-one Formula: C17H13FN4O3 MolecularWeight: 340.308523

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC(=O)C(=NN3)CC4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC(=O)C(=NN3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C17H13FN4O3/c18-11-3-1-10(2-4-11)7-13-16(23)20-17(22-21-13)19-12-5-6-14-15(8-12)25-9-24-14/h1-6,8H,7,9H2,(H2,19,20,22,23)