(4-oxidanylidene-1H-quinazolin-2-yl)methyl (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)OCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C20H21BrN2O3/c21-20-8-12-5-13(9-20)7-19(6-12,11-20)18(25)26-10-16-22-15-4-2-1-3-14(15)17(24)23-16/h1-4,12-13H,5-11H2,(H,22,23,24)/t12-,13+,19?,20?