(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-phenyladamantane-1-carboxylate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-phenyladamantane-1-carboxylate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-phenyladamantane-1-carboxylate CAS Name: 3-phenyl-1-adamantanecarboxylic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-phenyladamantane-1-carboxylate Traditional Name: 3-phenyladamantane-1-carboxylic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C26H25BrN2O3 MolecularWeight: 493.3923

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)OCC4=CC(=O)N5C=C(C=CC5=N4)Br)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C(=O)OCC4=CC(=O)N5C=C(C=CC5=N4)Br)C6=CC=CC=C6

InChI

InChI=1S/C26H25BrN2O3/c27-20-6-7-22-28-21(9-23(30)29(22)14-20)15-32-24(31)26-12-17-8-18(13-26)11-25(10-17,16-26)19-4-2-1-3-5-19/h1-7,9,14,17-18H,8,10-13,15-16H2