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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)N4CCN(CC4)C5=CC(=CC=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)N4CCN(CC4)C5=CC(=CC=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H25ClN6O3/c23-16-6-5-7-17(14-16)26-10-12-28(13-11-26)18-15-19(27-8-3-1-2-4-9-27)22(29(30)31)21-20(18)24-32-25-21/h5-7,14-15H,1-4,8-13H2