(E)-but-2-enedioic acid; 5-[(4-nitrophenyl)methyl]-N-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]-1,2,4-oxadiazole-3-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; 5-[(4-nitrophenyl)methyl]-N-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]-1,2,4-oxadiazole-3-carboxamide Openeye Name: N-[2-(1-benzyl-4-piperidyl)ethyl]-5-[(4-nitrophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-[(4-nitrophenyl)methyl]-N-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-1,2,4-oxadiazole-3-carboxamide IUPAC Name: N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-[(4-nitrophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide; (E)-but-2-enedioic acid Traditional Name: N-[2-(1-benzyl-4-piperidyl)ethyl]-5-(4-nitrobenzyl)-1,2,4-oxadiazole-3-carboxamide; fumaric acid Formula: C28H31N5O8 MolecularWeight: 565.57444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCNC(=O)C2=NOC(=N2)CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1CCNC(=O)C2=NOC(=N2)CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H27N5O4.C4H4O4/c30-24(23-26-22(33-27-23)16-19-6-8-21(9-7-19)29(31)32)25-13-10-18-11-14-28(15-12-18)17-20-4-2-1-3-5-20;5-3(6)1-2-4(7)8/h1-9,18H,10-17H2,(H,25,30);1-2H,(H,5,6)(H,7,8)/b;2-1+