3-(1,3-benzodioxol-5-ylamino)-6-(4-tert-butylphenyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylamino)-6-(4-tert-butylphenyl)-2H-1,2,4-triazin-5-one Openeye Name: 3-(1,3-benzodioxol-5-ylamino)-6-(4-tert-butylphenyl)-2H-1,2,4-triazin-5-one CAS Name: 3-(1,3-benzodioxol-5-ylamino)-6-(4-tert-butylphenyl)-2H-1,2,4-triazin-5-one IUPAC Name: 3-(1,3-benzodioxol-5-ylamino)-6-(4-tert-butylphenyl)-2H-1,2,4-triazin-5-one Traditional Name: 3-(1,3-benzodioxol-5-ylamino)-6-(4-tert-butylphenyl)-2H-1,2,4-triazin-5-one Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=NC2=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=NC2=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N4O3/c1-20(2,3)13-6-4-12(5-7-13)17-18(25)22-19(24-23-17)21-14-8-9-15-16(10-14)27-11-26-15/h4-10H,11H2,1-3H3,(H2,21,22,24,25)