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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-ethylbenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C20H17N3O3/c1-2-14-7-9-15(10-8-14)20(25)26-13-18-22-17-6-4-3-5-16(17)19(24)23(18)12-11-21/h3-10H,2,12-13H2,1H3