(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H17ClN4O3 MolecularWeight: 408.83768

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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=C(C=C4)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN4O3/c1-12-9-13(2)26(25-12)16-6-3-14(4-7-16)21(28)29-11-19-23-18-10-15(22)5-8-17(18)20(27)24-19/h3-10H,11H2,1-2H3,(H,23,24,27)