1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3/c1-13-19(14(2)26(25-13)16-9-5-4-6-10-16)22(28)29-15(3)20-23-18-12-8-7-11-17(18)21(27)24-20/h4-12,15H,1-3H3,(H,23,24,27)