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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(phenylmethyl)benzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-benzylbenzoate CAS Name: 2-(phenylmethyl)benzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-benzylbenzoate Traditional Name: 2-benzylbenzoic 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)CC2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

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