[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C21H16N6O3 MolecularWeight: 400.39014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)C4=CC=CC=C4

InChI

InChI=1S/C21H16N6O3/c1-14-19(25-27(24-14)15-7-3-2-4-8-15)21(29)30-13-18-23-17-10-6-5-9-16(17)20(28)26(18)12-11-22/h2-10H,12-13H2,1H3