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

Systemtic Name: 5-(azepan-1-yl)-7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole Openeye Name: 5-(azepan-1-yl)-7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole CAS Name: 5-(1-azepanyl)-7-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-nitro-2,1,3-benzoxadiazole IUPAC Name: 5-(azepan-1-yl)-7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole Traditional Name: 5-(azepan-1-yl)-4-nitro-7-(4-piperonylpiperazino)benzofurazan Formula: C24H28N6O5 MolecularWeight: 480.51632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)[N+](=O)[O-]

InChI

InChI=1S/C24H28N6O5/c31-30(32)24-19(28-7-3-1-2-4-8-28)14-18(22-23(24)26-35-25-22)29-11-9-27(10-12-29)15-17-5-6-20-21(13-17)34-16-33-20/h5-6,13-14H,1-4,7-12,15-16H2