5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-nitro-isoquinoline

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-nitro-isoquinoline Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-nitro-isoquinoline CAS Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-8-nitroisoquinoline IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-nitroisoquinoline Traditional Name: 8-nitro-5-(4-piperonylpiperazino)isoquinoline Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O4/c26-25(27)19-3-2-18(16-5-6-22-12-17(16)19)24-9-7-23(8-10-24)13-15-1-4-20-21(11-15)29-14-28-20/h1-6,11-12H,7-10,13-14H2