4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-iodanylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-iodanylphenyl)piperazine-1-carboxamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-iodophenyl)piperazine-1-carboxamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(3-iodophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-iodophenyl)piperazine-1-carboxamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-iodophenyl)piperazine-1-carboxamide Formula: C21H22IN5O3 MolecularWeight: 519.33555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22IN5O3/c1-29-18-11-16-17(12-19(18)30-2)23-13-24-20(16)26-6-8-27(9-7-26)21(28)25-15-5-3-4-14(22)10-15/h3-5,10-13H,6-9H2,1-2H3,(H,25,28)