ethanedioic acid; 1-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]-4-phenyl-piperazine

Systemtic Name: ethanedioic acid; 1-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]-4-phenyl-piperazine Openeye Name: 1-[1-[(3-nitrophenyl)methyl]-4-piperidyl]-4-phenyl-piperazine; oxalic acid CAS Name: 1-[1-[(3-nitrophenyl)methyl]-4-piperidinyl]-4-phenylpiperazine; oxalic acid IUPAC Name: 1-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]-4-phenylpiperazine; oxalic acid Traditional Name: 1-[1-(3-nitrobenzyl)-4-piperidyl]-4-phenyl-piperazine; oxalic acid Formula: C24H30N4O6 MolecularWeight: 470.5182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)CC4=CC(=CC=C4)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)CC4=CC(=CC=C4)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C22H28N4O2.C2H2O4/c27-26(28)22-8-4-5-19(17-22)18-23-11-9-21(10-12-23)25-15-13-24(14-16-25)20-6-2-1-3-7-20;3-1(4)2(5)6/h1-8,17,21H,9-16,18H2;(H,3,4)(H,5,6)