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

Systemtic Name: 5-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole Openeye Name: 5-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(2-ethoxyphenyl)-1-piperazinyl]methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole Traditional Name: 3-(3-nitrophenyl)-5-[(4-o-phenetylpiperazino)methyl]-1,2,4-oxadiazole Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CC3=NC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CC3=NC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4/c1-2-29-19-9-4-3-8-18(19)25-12-10-24(11-13-25)15-20-22-21(23-30-20)16-6-5-7-17(14-16)26(27)28/h3-9,14H,2,10-13,15H2,1H3