methyl 1-[2-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(6-bromo-4-oxo-quinazolin-3-yl)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(6-bromo-4-oxo-3-quinazolinyl)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(6-bromo-4-keto-quinazolin-3-yl)acetyl]isonipecotic acid methyl ester Formula: C17H18BrN3O4 MolecularWeight: 408.24652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C17H18BrN3O4/c1-25-17(24)11-4-6-20(7-5-11)15(22)9-21-10-19-14-3-2-12(18)8-13(14)16(21)23/h2-3,8,10-11H,4-7,9H2,1H3