5-[3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-3-propyl-1,2,4-oxadiazole

Systemtic Name: 5-[3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-3-propyl-1,2,4-oxadiazole Openeye Name: 5-[4-(4-benzylpiperazin-1-yl)-3-nitro-phenyl]-3-propyl-1,2,4-oxadiazole CAS Name: 5-[3-nitro-4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-3-propyl-1,2,4-oxadiazole IUPAC Name: 5-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]-3-propyl-1,2,4-oxadiazole Traditional Name: 5-[4-(4-benzylpiperazino)-3-nitro-phenyl]-3-propyl-1,2,4-oxadiazole Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=N1)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NOC(=N1)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O3/c1-2-6-21-23-22(30-24-21)18-9-10-19(20(15-18)27(28)29)26-13-11-25(12-14-26)16-17-7-4-3-5-8-17/h3-5,7-10,15H,2,6,11-14,16H2,1H3