[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(1-adamantyl)ethanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(1-adamantyl)ethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3/c24-5-6-26-20(25-19-4-2-1-3-18(19)22(26)28)14-29-21(27)13-23-10-15-7-16(11-23)9-17(8-15)12-23/h1-4,15-17H,6-14H2