3-(4-methylphenyl)-5-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-methylphenyl)-5-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole Openeye Name: 5-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-3-(p-tolyl)-1,2,4-oxadiazole CAS Name: 3-(4-methylphenyl)-5-[3-nitro-4-(4-phenyl-1-piperazinyl)phenyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methylphenyl)-5-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole Traditional Name: 5-[3-nitro-4-(4-phenylpiperazino)phenyl]-3-(p-tolyl)-1,2,4-oxadiazole Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC(=C(C=C3)N4CCN(CC4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC(=C(C=C3)N4CCN(CC4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O3/c1-18-7-9-19(10-8-18)24-26-25(33-27-24)20-11-12-22(23(17-20)30(31)32)29-15-13-28(14-16-29)21-5-3-2-4-6-21/h2-12,17H,13-16H2,1H3