methyl 4-[[5-oxidanylidene-6-[(4-propan-2-ylphenyl)methyl]-2H-1,2,4-triazin-3-yl]amino]benzoate

Systemtic Name: methyl 4-[[5-oxidanylidene-6-[(4-propan-2-ylphenyl)methyl]-2H-1,2,4-triazin-3-yl]amino]benzoate Openeye Name: methyl 4-[[6-[(4-isopropylphenyl)methyl]-5-oxo-2H-1,2,4-triazin-3-yl]amino]benzoate CAS Name: 4-[[5-oxo-6-[(4-propan-2-ylphenyl)methyl]-2H-1,2,4-triazin-3-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-oxo-6-[(4-propan-2-ylphenyl)methyl]-2H-1,2,4-triazin-3-yl]amino]benzoate Traditional Name: 4-[[6-(4-isopropylbenzyl)-5-keto-2H-1,2,4-triazin-3-yl]amino]benzoic acid methyl ester 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)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CC2=NNC(=NC2=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H22N4O3/c1-13(2)15-6-4-14(5-7-15)12-18-19(26)23-21(25-24-18)22-17-10-8-16(9-11-17)20(27)28-3/h4-11,13H,12H2,1-3H3,(H2,22,23,25,26)