5-[4-(4-methoxyphenyl)piperazin-1-yl]-8-nitro-isoquinoline

Systemtic Name: 5-[4-(4-methoxyphenyl)piperazin-1-yl]-8-nitro-isoquinoline Openeye Name: 5-[4-(4-methoxyphenyl)piperazin-1-yl]-8-nitro-isoquinoline CAS Name: 5-[4-(4-methoxyphenyl)-1-piperazinyl]-8-nitroisoquinoline IUPAC Name: 5-[4-(4-methoxyphenyl)piperazin-1-yl]-8-nitroisoquinoline Traditional Name: 5-[4-(4-methoxyphenyl)piperazino]-8-nitro-isoquinoline Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3/c1-27-16-4-2-15(3-5-16)22-10-12-23(13-11-22)19-6-7-20(24(25)26)18-14-21-9-8-17(18)19/h2-9,14H,10-13H2,1H3