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

Systemtic Name: ethanedioic acid; 1-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[1-[(3-nitrophenyl)methyl]-4-piperidyl]piperazine; oxalic acid CAS Name: 1-[1-[(3-nitrophenyl)methyl]-4-piperidinyl]-4-(phenylmethyl)piperazine; oxalic acid IUPAC Name: 1-benzyl-4-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]piperazine; oxalic acid Traditional Name: 1-benzyl-4-[1-(3-nitrobenzyl)-4-piperidyl]piperazine; oxalic acid Formula: C25H32N4O6 MolecularWeight: 484.54478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)CC3=CC=CC=C3)CC4=CC(=CC=C4)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)CC3=CC=CC=C3)CC4=CC(=CC=C4)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C23H30N4O2.C2H2O4/c28-27(29)23-8-4-7-21(17-23)19-24-11-9-22(10-12-24)26-15-13-25(14-16-26)18-20-5-2-1-3-6-20;3-1(4)2(5)6/h1-8,17,22H,9-16,18-19H2;(H,3,4)(H,5,6)