N-(4-ethanoylphenyl)-4-(6-iodanylquinazolin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(4-ethanoylphenyl)-4-(6-iodanylquinazolin-4-yl)piperazine-1-carboxamide Openeye Name: N-(4-acetylphenyl)-4-(6-iodoquinazolin-4-yl)piperazine-1-carboxamide CAS Name: N-(4-acetylphenyl)-4-(6-iodo-4-quinazolinyl)-1-piperazinecarboxamide IUPAC Name: N-(4-acetylphenyl)-4-(6-iodoquinazolin-4-yl)piperazine-1-carboxamide Traditional Name: N-(4-acetylphenyl)-4-(6-iodoquinazolin-4-yl)piperazine-1-carboxamide Formula: C21H20IN5O2 MolecularWeight: 501.32027

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC4=C3C=C(C=C4)I

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC4=C3C=C(C=C4)I

InChI

InChI=1S/C21H20IN5O2/c1-14(28)15-2-5-17(6-3-15)25-21(29)27-10-8-26(9-11-27)20-18-12-16(22)4-7-19(18)23-13-24-20/h2-7,12-13H,8-11H2,1H3,(H,25,29)