2-(2,4-dimethylphenyl)-5-methyl-N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 2-(2,4-dimethylphenyl)-5-methyl-N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-1,2,3-triazole-4-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)triazole-4-carboxamide CAS Name: 2-(2,4-dimethylphenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-triazolecarboxamide IUPAC Name: 2-(2,4-dimethylphenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)triazole-4-carboxamide Traditional Name: 2-(2,4-dimethylphenyl)-N-(3-keto-4H-1,4-benzoxazin-6-yl)-5-methyl-triazole-4-carboxamide Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NC3=CC4=C(C=C3)OCC(=O)N4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NC3=CC4=C(C=C3)OCC(=O)N4)C)C

InChI

InChI=1S/C20H19N5O3/c1-11-4-6-16(12(2)8-11)25-23-13(3)19(24-25)20(27)21-14-5-7-17-15(9-14)22-18(26)10-28-17/h4-9H,10H2,1-3H3,(H,21,27)(H,22,26)