8-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-5-nitro-quinoline

Systemtic Name: 8-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-5-nitro-quinoline Openeye Name: 8-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-5-nitro-quinoline CAS Name: 8-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-5-nitroquinoline IUPAC Name: 8-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-5-nitroquinoline Traditional Name: 5-nitro-8-(4-veratrylpiperazino)quinoline Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4)OC

InChI

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