3-(2-ethoxyphenyl)-5-(3-nitro-4-piperidin-1-yl-phenyl)-1,2,4-oxadiazole

Systemtic Name: 3-(2-ethoxyphenyl)-5-(3-nitro-4-piperidin-1-yl-phenyl)-1,2,4-oxadiazole Openeye Name: 3-(2-ethoxyphenyl)-5-[3-nitro-4-(1-piperidyl)phenyl]-1,2,4-oxadiazole CAS Name: 3-(2-ethoxyphenyl)-5-[3-nitro-4-(1-piperidinyl)phenyl]-1,2,4-oxadiazole IUPAC Name: 3-(2-ethoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole Traditional Name: 5-(3-nitro-4-piperidino-phenyl)-3-o-phenetyl-1,2,4-oxadiazole Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NOC(=N2)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1C2=NOC(=N2)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-2-28-19-9-5-4-8-16(19)20-22-21(29-23-20)15-10-11-17(18(14-15)25(26)27)24-12-6-3-7-13-24/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3