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

Systemtic Name: ethanedioic acid; 1-[(4-nitrophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine Openeye Name: 1-[(4-nitrophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine; oxalic acid CAS Name: 1-[(4-nitrophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine; oxalic acid IUPAC Name: 1-[(4-nitrophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine; oxalic acid Traditional Name: 1-(4-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=C(C=C4)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

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