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

Systemtic Name: N-ethyl-5-(4-methylpiperazin-1-yl)-4-nitro-N-(phenylmethyl)-2,1,3-benzoxadiazol-7-amine Openeye Name: N-benzyl-N-ethyl-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: N-ethyl-5-(4-methyl-1-piperazinyl)-4-nitro-N-(phenylmethyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-benzyl-N-ethyl-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: benzyl-ethyl-[6-(4-methylpiperazino)-7-nitro-benzofurazan-4-yl]amine Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCN(CC4)C

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCN(CC4)C

InChI

InChI=1S/C20H24N6O3/c1-3-24(14-15-7-5-4-6-8-15)16-13-17(25-11-9-23(2)10-12-25)20(26(27)28)19-18(16)21-29-22-19/h4-8,13H,3,9-12,14H2,1-2H3