ethanedioic acid; (4-nitrophenyl)-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; (4-nitrophenyl)-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone Openeye Name: (4-nitrophenyl)-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (4-nitrophenyl)-[4-(4-phenylcyclohexyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (4-nitrophenyl)-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (4-nitrophenyl)-[4-(4-phenylcyclohexyl)piperazino]methanone; oxalic acid Formula: C25H29N3O7 MolecularWeight: 483.51366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3.C2H2O4/c27-23(20-8-12-22(13-9-20)26(28)29)25-16-14-24(15-17-25)21-10-6-19(7-11-21)18-4-2-1-3-5-18;3-1(4)2(5)6/h1-5,8-9,12-13,19,21H,6-7,10-11,14-17H2;(H,3,4)(H,5,6)