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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-cyclopentylethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-cyclopentylacetate CAS Name: 2-cyclopentylacetic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-cyclopentylacetate Traditional Name: 2-cyclopentylacetic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

C1CCC(C1)CC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C18H19N3O3/c19-9-10-21-16(12-24-17(22)11-13-5-1-2-6-13)20-15-8-4-3-7-14(15)18(21)23/h3-4,7-8,13H,1-2,5-6,10-12H2