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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NOC(=N1)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

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