1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine; ethanedioic acid

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine; ethanedioic acid Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(1-naphthylmethyl)piperazine; oxalic acid CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-(1-naphthalenylmethyl)piperazine; oxalic acid IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-4-(1-naphthylmethyl)piperazine; oxalic acid Formula: C26H29N3O8 MolecularWeight: 511.52376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CCN(CC2)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CCN(CC2)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H27N3O4.C2H2O4/c1-30-23-14-20(22(27(28)29)15-24(23)31-2)17-26-12-10-25(11-13-26)16-19-8-5-7-18-6-3-4-9-21(18)19;3-1(4)2(5)6/h3-9,14-15H,10-13,16-17H2,1-2H3;(H,3,4)(H,5,6)