2-(2,4-dimethylphenyl)-N,5-dimethyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 2-(2,4-dimethylphenyl)-N,5-dimethyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)-N,5-dimethyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]triazole-4-carboxamide CAS Name: 2-(2,4-dimethylphenyl)-N,5-dimethyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4-triazolecarboxamide IUPAC Name: 2-(2,4-dimethylphenyl)-N,5-dimethyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]triazole-4-carboxamide Traditional Name: 2-(2,4-dimethylphenyl)-N-[(4-keto-1H-quinazolin-2-yl)methyl]-N,5-dimethyl-triazole-4-carboxamide Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)N(C)CC3=NC(=O)C4=CC=CC=C4N3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)N(C)CC3=NC(=O)C4=CC=CC=C4N3)C)C

InChI

InChI=1S/C22H22N6O2/c1-13-9-10-18(14(2)11-13)28-25-15(3)20(26-28)22(30)27(4)12-19-23-17-8-6-5-7-16(17)21(29)24-19/h5-11H,12H2,1-4H3,(H,23,24,29)