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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl adamantane-1-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=NC5=CC=CC=C5C(=O)N4CC#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=NC5=CC=CC=C5C(=O)N4CC#N

InChI

InChI=1S/C22H23N3O3/c23-5-6-25-19(24-18-4-2-1-3-17(18)20(25)26)13-28-21(27)22-10-14-7-15(11-22)9-16(8-14)12-22/h1-4,14-16H,6-13H2