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

Systemtic Name: 5-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]-3-propan-2-yl-1,2,4-oxadiazole Openeye Name: 3-isopropyl-5-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]-1,2,4-oxadiazole CAS Name: 5-[4-(4-methyl-1-piperazinyl)-3-nitrophenyl]-3-propan-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-3-propan-2-yl-1,2,4-oxadiazole Traditional Name: 3-isopropyl-5-[4-(4-methylpiperazino)-3-nitro-phenyl]-1,2,4-oxadiazole Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O3/c1-11(2)15-17-16(24-18-15)12-4-5-13(14(10-12)21(22)23)20-8-6-19(3)7-9-20/h4-5,10-11H,6-9H2,1-3H3