3-(3-nitrophenyl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(3-nitrophenyl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 5-[(4-benzyloxy-1-piperidyl)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole CAS Name: 3-(3-nitrophenyl)-5-[(4-phenylmethoxy-1-piperidinyl)methyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-nitrophenyl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 5-[(4-benzoxypiperidino)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OCC2=CC=CC=C2)CC3=NC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1OCC2=CC=CC=C2)CC3=NC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c26-25(27)18-8-4-7-17(13-18)21-22-20(29-23-21)14-24-11-9-19(10-12-24)28-15-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2