6-bromanyl-3-[1-(2-chloranyl-6,7-diethoxy-quinazolin-4-yl)piperidin-4-yl]quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[1-(2-chloranyl-6,7-diethoxy-quinazolin-4-yl)piperidin-4-yl]quinazolin-4-one Openeye Name: 6-bromo-3-[1-(2-chloro-6,7-diethoxy-quinazolin-4-yl)-4-piperidyl]quinazolin-4-one CAS Name: 6-bromo-3-[1-(2-chloro-6,7-diethoxy-4-quinazolinyl)-4-piperidinyl]-4-quinazolinone IUPAC Name: 6-bromo-3-[1-(2-chloro-6,7-diethoxyquinazolin-4-yl)piperidin-4-yl]quinazolin-4-one Traditional Name: 6-bromo-3-[1-(2-chloro-6,7-diethoxy-quinazolin-4-yl)-4-piperidyl]quinazolin-4-one Formula: C25H25BrClN5O3 MolecularWeight: 558.8547

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NC(=N2)Cl)N3CCC(CC3)N4C=NC5=C(C4=O)C=C(C=C5)Br)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NC(=N2)Cl)N3CCC(CC3)N4C=NC5=C(C4=O)C=C(C=C5)Br)OCC

InChI

InChI=1S/C25H25BrClN5O3/c1-3-34-21-12-17-20(13-22(21)35-4-2)29-25(27)30-23(17)31-9-7-16(8-10-31)32-14-28-19-6-5-15(26)11-18(19)24(32)33/h5-6,11-14,16H,3-4,7-10H2,1-2H3