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

Systemtic Name: ethanedioic acid; (4-nitrophenyl)-[4-[1-(phenylmethyl)piperidin-4-yl]piperazin-1-yl]methanone Openeye Name: [4-(1-benzyl-4-piperidyl)piperazin-1-yl]-(4-nitrophenyl)methanone; oxalic acid CAS Name: (4-nitrophenyl)-[4-[1-(phenylmethyl)-4-piperidinyl]-1-piperazinyl]methanone; oxalic acid IUPAC Name: [4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone; oxalic acid Traditional Name: [4-(1-benzyl-4-piperidyl)piperazino]-(4-nitrophenyl)methanone; oxalic acid Formula: C25H30N4O7 MolecularWeight: 498.5283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3.C2H2O4/c28-23(20-6-8-22(9-7-20)27(29)30)26-16-14-25(15-17-26)21-10-12-24(13-11-21)18-19-4-2-1-3-5-19;3-1(4)2(5)6/h1-9,21H,10-18H2;(H,3,4)(H,5,6)