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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl cyclopentanecarboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3/c18-9-10-20-15(11-23-17(22)12-5-1-2-6-12)19-14-8-4-3-7-13(14)16(20)21/h3-4,7-8,12H,1-2,5-6,10-11H2