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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(4-phenylphenyl)ethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-(4-phenylphenyl)acetate CAS Name: 2-(4-phenylphenyl)acetic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(4-phenylphenyl)acetate Traditional Name: 2-(4-phenylphenyl)acetic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C25H19N3O3 MolecularWeight: 409.43666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19N3O3/c26-14-15-28-23(27-22-9-5-4-8-21(22)25(28)30)17-31-24(29)16-18-10-12-20(13-11-18)19-6-2-1-3-7-19/h1-13H,15-17H2