1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)benzoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C22H19ClN4O3 MolecularWeight: 422.86426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OC(C)C3=NC(=O)C4=CC=CC=C4N3)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OC(C)C3=NC(=O)C4=CC=CC=C4N3)C)Cl

InChI

InChI=1S/C22H19ClN4O3/c1-12-19(23)13(2)27(26-12)16-10-8-15(9-11-16)22(29)30-14(3)20-24-18-7-5-4-6-17(18)21(28)25-20/h4-11,14H,1-3H3,(H,24,25,28)