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

Systemtic Name: 2-[[6-iodanyl-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]-6-iodo-4-oxo-quinazolin-2-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-[4-hydroxy-3-(1-piperidinylmethyl)phenyl]-6-iodo-4-oxo-2-quinazolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]-6-iodo-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[3-[4-hydroxy-3-(piperidinomethyl)phenyl]-6-iodo-4-keto-quinazolin-2-yl]methyl]isoindoline-1,3-quinone Formula: C29H25IN4O4 MolecularWeight: 620.43767

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=C(C=CC(=C2)N3C(=NC4=C(C3=O)C=C(C=C4)I)CN5C(=O)C6=CC=CC=C6C5=O)O

Isomeric SMILES

C1CCN(CC1)CC2=C(C=CC(=C2)N3C(=NC4=C(C3=O)C=C(C=C4)I)CN5C(=O)C6=CC=CC=C6C5=O)O

InChI

InChI=1S/C29H25IN4O4/c30-19-8-10-24-23(15-19)29(38)34(20-9-11-25(35)18(14-20)16-32-12-4-1-5-13-32)26(31-24)17-33-27(36)21-6-2-3-7-22(21)28(33)37/h2-3,6-11,14-15,35H,1,4-5,12-13,16-17H2