4-[6,8-bis(iodanyl)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[6,8-bis(iodanyl)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide Openeye Name: 4-(6,8-diiodoquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide CAS Name: 4-(6,8-diiodo-4-quinazolinyl)-N-(4-phenoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(6,8-diiodoquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide Traditional Name: 4-(6,8-diiodoquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide Formula: C25H21I2N5O2 MolecularWeight: 677.27548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C(C=C(C=C32)I)I)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C(C=C(C=C32)I)I)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C25H21I2N5O2/c26-17-14-21-23(22(27)15-17)28-16-29-24(21)31-10-12-32(13-11-31)25(33)30-18-6-8-20(9-7-18)34-19-4-2-1-3-5-19/h1-9,14-16H,10-13H2,(H,30,33)