[3,5-bis(bromanyl)-2-oxidanyl-phenyl]-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]methanone

Systemtic Name: [3,5-bis(bromanyl)-2-oxidanyl-phenyl]-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]methanone Openeye Name: (3,5-dibromo-2-hydroxy-phenyl)-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]methanone CAS Name: (3,5-dibromo-2-hydroxyphenyl)-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]methanone IUPAC Name: (3,5-dibromo-2-hydroxyphenyl)-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]methanone Traditional Name: (3,5-dibromo-2-hydroxy-phenyl)-[4-(8-nitro-5-isoquinolyl)piperazino]methanone Formula: C20H16Br2N4O4 MolecularWeight: 536.17344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C(=O)C4=CC(=CC(=C4O)Br)Br

Isomeric SMILES

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C(=O)C4=CC(=CC(=C4O)Br)Br

InChI

InChI=1S/C20H16Br2N4O4/c21-12-9-14(19(27)16(22)10-12)20(28)25-7-5-24(6-8-25)17-1-2-18(26(29)30)15-11-23-4-3-13(15)17/h1-4,9-11,27H,5-8H2