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

Systemtic Name: ethyl 1-[[6,8-bis(bromanyl)-4-oxidanylidene-1H-quinazolin-2-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H19Br2N3O3 MolecularWeight: 473.15906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19Br2N3O3/c1-2-25-17(24)10-3-5-22(6-4-10)9-14-20-15-12(16(23)21-14)7-11(18)8-13(15)19/h7-8,10H,2-6,9H2,1H3,(H,20,21,23)