1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(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-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic 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=CC(=NN1C2=CC=C(C=C2)C(=O)OC(C)C3=NC(=O)C4=CC=CC=C4N3)C

Isomeric SMILES

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

InChI

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