ethyl 1-(2-bromanyl-11-oxidanylidene-pyrido[2,1-b]quinazolin-6-yl)carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(2-bromanyl-11-oxidanylidene-pyrido[2,1-b]quinazolin-6-yl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(2-bromo-11-oxo-pyrido[2,1-b]quinazoline-6-carbonyl)piperidine-4-carboxylate CAS Name: 1-[(2-bromo-11-oxo-6-pyrido[2,1-b]quinazolinyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-bromo-11-oxopyrido[2,1-b]quinazoline-6-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-bromo-11-keto-pyrido[2,1-b]quinazoline-6-carbonyl)isonipecotic acid ethyl ester Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CN3C2=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CN3C2=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H20BrN3O4/c1-2-29-21(28)13-7-10-24(11-8-13)19(26)15-4-3-9-25-18(15)23-17-6-5-14(22)12-16(17)20(25)27/h3-6,9,12-13H,2,7-8,10-11H2,1H3