[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-(4-chlorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-(4-chlorophenyl)-4-oxidanylidene-butanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-(4-chlorophenyl)-4-oxo-butanoate CAS Name: 4-(4-chlorophenyl)-4-oxobutanoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-(4-chlorophenyl)-4-oxobutanoate Traditional Name: 4-(4-chlorophenyl)-4-keto-butyric acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C21H16ClN3O4 MolecularWeight: 409.82244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)CCC(=O)C3=CC=C(C=C3)Cl)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)CCC(=O)C3=CC=C(C=C3)Cl)CC#N

InChI

InChI=1S/C21H16ClN3O4/c22-15-7-5-14(6-8-15)18(26)9-10-20(27)29-13-19-24-17-4-2-1-3-16(17)21(28)25(19)12-11-23/h1-8H,9-10,12-13H2