7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-nitro-N-(phenylmethyl)-2,1,3-benzoxadiazol-5-amine

Systemtic Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-nitro-N-(phenylmethyl)-2,1,3-benzoxadiazol-5-amine Openeye Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-benzyl-4-nitro-2,1,3-benzoxadiazol-5-amine CAS Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-nitro-N-(phenylmethyl)-2,1,3-benzoxadiazol-5-amine IUPAC Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-benzyl-4-nitro-2,1,3-benzoxadiazol-5-amine Traditional Name: benzyl-[4-nitro-7-(4-piperonylpiperazino)benzofurazan-5-yl]amine Formula: C25H24N6O5 MolecularWeight: 488.49526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC(=C(C5=NON=C45)[N+](=O)[O-])NCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC(=C(C5=NON=C45)[N+](=O)[O-])NCC6=CC=CC=C6

InChI

InChI=1S/C25H24N6O5/c32-31(33)25-19(26-14-17-4-2-1-3-5-17)13-20(23-24(25)28-36-27-23)30-10-8-29(9-11-30)15-18-6-7-21-22(12-18)35-16-34-21/h1-7,12-13,26H,8-11,14-16H2