5-(4-methylpiperazin-1-yl)-4-nitro-N,N-bis(phenylmethyl)-2,1,3-benzoxadiazol-7-amine

Systemtic Name: 5-(4-methylpiperazin-1-yl)-4-nitro-N,N-bis(phenylmethyl)-2,1,3-benzoxadiazol-7-amine Openeye Name: N,N-dibenzyl-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: 5-(4-methyl-1-piperazinyl)-4-nitro-N,N-bis(phenylmethyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N,N-dibenzyl-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: dibenzyl-[6-(4-methylpiperazino)-7-nitro-benzofurazan-4-yl]amine Formula: C25H26N6O3 MolecularWeight: 458.51234

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C3=NON=C3C(=C2)N(CC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C3=NON=C3C(=C2)N(CC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H26N6O3/c1-28-12-14-29(15-13-28)22-16-21(23-24(27-34-26-23)25(22)31(32)33)30(17-19-8-4-2-5-9-19)18-20-10-6-3-7-11-20/h2-11,16H,12-15,17-18H2,1H3