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

Systemtic Name: 2-[[4-oxidanylidene-3-[4-oxidanyl-3-(piperidin-1-ylmethyl)phenyl]quinazolin-2-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-[4-hydroxy-3-(1-piperidylmethyl)phenyl]-4-oxo-quinazolin-2-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-[4-hydroxy-3-(1-piperidinylmethyl)phenyl]-4-oxo-2-quinazolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[3-[4-hydroxy-3-(piperidinomethyl)phenyl]-4-keto-quinazolin-2-yl]methyl]isoindoline-1,3-quinone Formula: C29H26N4O4 MolecularWeight: 494.54114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26N4O4/c34-25-13-12-20(16-19(25)17-31-14-6-1-7-15-31)33-26(30-24-11-5-4-10-23(24)29(33)37)18-32-27(35)21-8-2-3-9-22(21)28(32)36/h2-5,8-13,16,34H,1,6-7,14-15,17-18H2