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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-phenylbenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C24H17N3O3 MolecularWeight: 395.41008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C24H17N3O3/c25-14-15-27-22(26-21-9-5-4-8-20(21)23(27)28)16-30-24(29)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-13H,15-16H2