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

Systemtic Name: 5-(azepan-1-yl)-7-[4-(4-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole Openeye Name: 5-(azepan-1-yl)-7-[4-(4-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole CAS Name: 5-(1-azepanyl)-7-[4-(4-methoxyphenyl)-1-piperazinyl]-4-nitro-2,1,3-benzoxadiazole IUPAC Name: 5-(azepan-1-yl)-7-[4-(4-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole Traditional Name: 5-(azepan-1-yl)-7-[4-(4-methoxyphenyl)piperazino]-4-nitro-benzofurazan Formula: C23H28N6O4 MolecularWeight: 452.50622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCCCCC5

InChI

InChI=1S/C23H28N6O4/c1-32-18-8-6-17(7-9-18)26-12-14-28(15-13-26)19-16-20(27-10-4-2-3-5-11-27)23(29(30)31)22-21(19)24-33-25-22/h6-9,16H,2-5,10-15H2,1H3