3-[3-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]propyl]-2-oxidanidyl-benzo[f]benzotriazol-2-ium-4,9-dione

Systemtic Name: 3-[3-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]propyl]-2-oxidanidyl-benzo[f]benzotriazol-2-ium-4,9-dione Openeye Name: 3-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]propyl]-2-oxido-benzo[f]benzotriazol-2-ium-4,9-dione CAS Name: 3-[3-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]propyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione IUPAC Name: 3-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]propyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione Traditional Name: 2-oxido-3-[3-(4-p-anisoylpiperazino)propyl]benzo[f]benzotriazol-2-ium-4,9-quinone Formula: C25H25N5O5 MolecularWeight: 475.4965

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCCN3C4=C(C(=O)C5=CC=CC=C5C4=O)N=[N+]3[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCCN3C4=C(C(=O)C5=CC=CC=C5C4=O)N=[N+]3[O-]

InChI

InChI=1S/C25H25N5O5/c1-35-18-9-7-17(8-10-18)25(33)28-15-13-27(14-16-28)11-4-12-29-22-21(26-30(29)34)23(31)19-5-2-3-6-20(19)24(22)32/h2-3,5-10H,4,11-16H2,1H3