7-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole

Systemtic Name: 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole Openeye Name: 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methyl-1-piperidyl)-4-nitro-2,1,3-benzoxadiazole CAS Name: 7-[4-(3-chlorophenyl)-1-piperazinyl]-5-(4-methyl-1-piperidinyl)-4-nitro-2,1,3-benzoxadiazole IUPAC Name: 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole Traditional Name: 7-[4-(3-chlorophenyl)piperazino]-5-(4-methylpiperidino)-4-nitro-benzofurazan Formula: C22H25ClN6O3 MolecularWeight: 456.9253

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C3=NON=C3C(=C2)N4CCN(CC4)C5=CC(=CC=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C3=NON=C3C(=C2)N4CCN(CC4)C5=CC(=CC=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H25ClN6O3/c1-15-5-7-27(8-6-15)19-14-18(20-21(25-32-24-20)22(19)29(30)31)28-11-9-26(10-12-28)17-4-2-3-16(23)13-17/h2-4,13-15H,5-12H2,1H3