(1,3-diphenylpyrazol-4-yl)methyl 3-(4-oxidanylidenequinazolin-3-yl)propanoate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 3-(4-oxidanylidenequinazolin-3-yl)propanoate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 3-(4-oxoquinazolin-3-yl)propanoate CAS Name: 3-(4-oxo-3-quinazolinyl)propanoic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 3-(4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-ketoquinazolin-3-yl)propionic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C27H22N4O3 MolecularWeight: 450.48858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2COC(=O)CCN3C=NC4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2COC(=O)CCN3C=NC4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C27H22N4O3/c32-25(15-16-30-19-28-24-14-8-7-13-23(24)27(30)33)34-18-21-17-31(22-11-5-2-6-12-22)29-26(21)20-9-3-1-4-10-20/h1-14,17,19H,15-16,18H2