3-(1,3-benzodioxol-5-ylmethylamino)-6-[(4-propan-2-ylphenyl)methyl]-2H-1,2,4-triazin-5-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylamino)-6-[(4-propan-2-ylphenyl)methyl]-2H-1,2,4-triazin-5-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethylamino)-6-[(4-isopropylphenyl)methyl]-2H-1,2,4-triazin-5-one CAS Name: 3-(1,3-benzodioxol-5-ylmethylamino)-6-[(4-propan-2-ylphenyl)methyl]-2H-1,2,4-triazin-5-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylamino)-6-[(4-propan-2-ylphenyl)methyl]-2H-1,2,4-triazin-5-one Traditional Name: 6-(4-isopropylbenzyl)-3-(piperonylamino)-2H-1,2,4-triazin-5-one Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CC2=NNC(=NC2=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CC2=NNC(=NC2=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N4O3/c1-13(2)16-6-3-14(4-7-16)9-17-20(26)23-21(25-24-17)22-11-15-5-8-18-19(10-15)28-12-27-18/h3-8,10,13H,9,11-12H2,1-2H3,(H2,22,23,25,26)