2-[[6,8-bis(bromanyl)-4-oxidanylidene-3-[4-oxidanyl-3-(piperidin-1-ylmethyl)phenyl]quinazolin-2-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[6,8-bis(bromanyl)-4-oxidanylidene-3-[4-oxidanyl-3-(piperidin-1-ylmethyl)phenyl]quinazolin-2-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[6,8-dibromo-3-[4-hydroxy-3-(1-piperidylmethyl)phenyl]-4-oxo-quinazolin-2-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[6,8-dibromo-3-[4-hydroxy-3-(1-piperidinylmethyl)phenyl]-4-oxo-2-quinazolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[6,8-dibromo-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[6,8-dibromo-3-[4-hydroxy-3-(piperidinomethyl)phenyl]-4-keto-quinazolin-2-yl]methyl]isoindoline-1,3-quinone Formula: C29H24Br2N4O4 MolecularWeight: 652.33326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=C(C=CC(=C2)N3C(=NC4=C(C=C(C=C4C3=O)Br)Br)CN5C(=O)C6=CC=CC=C6C5=O)O

Isomeric SMILES

C1CCN(CC1)CC2=C(C=CC(=C2)N3C(=NC4=C(C=C(C=C4C3=O)Br)Br)CN5C(=O)C6=CC=CC=C6C5=O)O

InChI

InChI=1S/C29H24Br2N4O4/c30-18-13-22-26(23(31)14-18)32-25(16-34-27(37)20-6-2-3-7-21(20)28(34)38)35(29(22)39)19-8-9-24(36)17(12-19)15-33-10-4-1-5-11-33/h2-3,6-9,12-14,36H,1,4-5,10-11,15-16H2