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

Systemtic Name: 5-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-3-propan-2-yl-1,2,4-oxadiazole Openeye Name: 3-isopropyl-5-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole CAS Name: 5-[3-nitro-4-(4-phenyl-1-piperazinyl)phenyl]-3-propan-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-3-propan-2-yl-1,2,4-oxadiazole Traditional Name: 3-isopropyl-5-[3-nitro-4-(4-phenylpiperazino)phenyl]-1,2,4-oxadiazole Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NOC(=N1)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3/c1-15(2)20-22-21(29-23-20)16-8-9-18(19(14-16)26(27)28)25-12-10-24(11-13-25)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3