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

Systemtic Name: 5-[3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[4-(4-benzylpiperazin-1-yl)-3-nitro-phenyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[3-nitro-4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[4-(4-benzylpiperazino)-3-nitro-phenyl]-3-phenyl-1,2,4-oxadiazole Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)C4=NC(=NO4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)C4=NC(=NO4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O3/c31-30(32)23-17-21(25-26-24(27-33-25)20-9-5-2-6-10-20)11-12-22(23)29-15-13-28(14-16-29)18-19-7-3-1-4-8-19/h1-12,17H,13-16,18H2