5-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-8-nitro-isoquinoline

Systemtic Name: 5-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-8-nitro-isoquinoline Openeye Name: 5-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-8-nitro-isoquinoline CAS Name: 5-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-8-nitroisoquinoline IUPAC Name: 5-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-8-nitroisoquinoline Traditional Name: 5-[4-(2,5-dimethoxybenzyl)piperazino]-8-nitro-isoquinoline Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4/c1-29-17-3-6-22(30-2)16(13-17)15-24-9-11-25(12-10-24)20-4-5-21(26(27)28)19-14-23-8-7-18(19)20/h3-8,13-14H,9-12,15H2,1-2H3