4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-phenyldiazenylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-phenyldiazenylphenyl)piperazine-1-carboxamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-phenylazophenyl)piperazine-1-carboxamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(4-phenyldiazenylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-phenyldiazenylphenyl)piperazine-1-carboxamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-phenylazophenyl)piperazine-1-carboxamide Formula: C27H27N7O3 MolecularWeight: 497.54838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)N=NC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)N=NC5=CC=CC=C5)OC

InChI

InChI=1S/C27H27N7O3/c1-36-24-16-22-23(17-25(24)37-2)28-18-29-26(22)33-12-14-34(15-13-33)27(35)30-19-8-10-21(11-9-19)32-31-20-6-4-3-5-7-20/h3-11,16-18H,12-15H2,1-2H3,(H,30,35)