ethanedioic acid; 1-[(4-nitrophenyl)methyl]-4-(3-phenylpropyl)piperazine

Systemtic Name: ethanedioic acid; 1-[(4-nitrophenyl)methyl]-4-(3-phenylpropyl)piperazine Openeye Name: 1-[(4-nitrophenyl)methyl]-4-(3-phenylpropyl)piperazine; oxalic acid CAS Name: 1-[(4-nitrophenyl)methyl]-4-(3-phenylpropyl)piperazine; oxalic acid IUPAC Name: 1-[(4-nitrophenyl)methyl]-4-(3-phenylpropyl)piperazine; oxalic acid Traditional Name: 1-(4-nitrobenzyl)-4-(3-phenylpropyl)piperazine; oxalic acid Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCCC2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25N3O2.C2H2O4/c24-23(25)20-10-8-19(9-11-20)17-22-15-13-21(14-16-22)12-4-7-18-5-2-1-3-6-18;3-1(4)2(5)6/h1-3,5-6,8-11H,4,7,12-17H2;(H,3,4)(H,5,6)