[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C22H17N5O4 MolecularWeight: 415.40148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)C4=CC=CC=C4

InChI

InChI=1S/C22H17N5O4/c1-30-18-13-27(15-7-3-2-4-8-15)25-20(18)22(29)31-14-19-24-17-10-6-5-9-16(17)21(28)26(19)12-11-23/h2-10,13H,12,14H2,1H3