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

Systemtic Name: ethanedioic acid; 1-[(3-nitrophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine Openeye Name: 1-[(3-nitrophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine; oxalic acid CAS Name: 1-[(3-nitrophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine; oxalic acid IUPAC Name: 1-[(3-nitrophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine; oxalic acid Traditional Name: 1-(3-nitrobenzyl)-4-(4-phenylcyclohexyl)piperazine; oxalic acid Formula: C25H31N3O6 MolecularWeight: 469.53014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC=C2)N3CCN(CC3)CC4=CC(=CC=C4)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)N3CCN(CC3)CC4=CC(=CC=C4)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C23H29N3O2.C2H2O4/c27-26(28)23-8-4-5-19(17-23)18-24-13-15-25(16-14-24)22-11-9-21(10-12-22)20-6-2-1-3-7-20;3-1(4)2(5)6/h1-8,17,21-22H,9-16,18H2;(H,3,4)(H,5,6)