(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3=CC=C(C=C3)N4C(=CC=N4)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3=CC=C(C=C3)N4C(=CC=N4)C

InChI

InChI=1S/C21H18N4O3/c1-13-4-3-5-17-19(13)23-18(24-20(17)26)12-28-21(27)15-6-8-16(9-7-15)25-14(2)10-11-22-25/h3-11H,12H2,1-2H3,(H,23,24,26)