methyl 1-[[6,8-bis(bromanyl)-4-oxidanylidene-1H-quinazolin-2-yl]methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[6,8-bis(bromanyl)-4-oxidanylidene-1H-quinazolin-2-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(6,8-dibromo-4-oxo-1H-quinazolin-2-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[(6,8-dibromo-4-oxo-1H-quinazolin-2-yl)methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(6,8-dibromo-4-oxo-1H-quinazolin-2-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(6,8-dibromo-4-keto-1H-quinazolin-2-yl)methyl]isonipecotic acid methyl ester Formula: C16H17Br2N3O3 MolecularWeight: 459.13248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br

Isomeric SMILES

COC(=O)C1CCN(CC1)CC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br

InChI

InChI=1S/C16H17Br2N3O3/c1-24-16(23)9-2-4-21(5-3-9)8-13-19-14-11(15(22)20-13)6-10(17)7-12(14)18/h6-7,9H,2-5,8H2,1H3,(H,19,20,22)