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

Systemtic Name: (6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid (6-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C20H15ClN4O3 MolecularWeight: 394.8111

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C20H15ClN4O3/c1-12-8-9-22-25(12)15-5-2-13(3-6-15)20(27)28-11-18-23-17-7-4-14(21)10-16(17)19(26)24-18/h2-10H,11H2,1H3,(H,23,24,26)