[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-oxidanyladamantane-1-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=NC5=CC=CC=C5C(=O)N4CC#N

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=NC5=CC=CC=C5C(=O)N4CC#N

InChI

InChI=1S/C22H23N3O4/c23-5-6-25-18(24-17-4-2-1-3-16(17)19(25)26)12-29-20(27)21-8-14-7-15(9-21)11-22(28,10-14)13-21/h1-4,14-15,28H,6-13H2