1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(8-nitro-5-isoquinolyl)piperazino]butane-1,4-dione Formula: C25H24N4O6 MolecularWeight: 476.48126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C(=O)CCC(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C(=O)CCC(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H24N4O6/c30-22(17-1-5-23-24(15-17)35-14-13-34-23)4-6-25(31)28-11-9-27(10-12-28)20-2-3-21(29(32)33)19-16-26-8-7-18(19)20/h1-3,5,7-8,15-16H,4,6,9-14H2