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

Systemtic Name: ethyl 4-[[5-oxidanylidene-6-[(4-propan-2-ylphenyl)methyl]-2H-1,2,4-triazin-3-yl]amino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=O)C(=NN2)CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=O)C(=NN2)CC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H24N4O3/c1-4-29-21(28)17-9-11-18(12-10-17)23-22-24-20(27)19(25-26-22)13-15-5-7-16(8-6-15)14(2)3/h5-12,14H,4,13H2,1-3H3,(H2,23,24,26,27)