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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl cyclohexanecarboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic 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(CC1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

C1CCC(CC1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C18H19N3O3/c19-10-11-21-16(12-24-18(23)13-6-2-1-3-7-13)20-15-9-5-4-8-14(15)17(21)22/h4-5,8-9,13H,1-3,6-7,11-12H2