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

Systemtic Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-nitro-N-pyridin-2-yl-2,1,3-benzoxadiazol-5-amine Openeye Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-nitro-N-(2-pyridyl)-2,1,3-benzoxadiazol-5-amine CAS Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-nitro-N-(2-pyridinyl)-2,1,3-benzoxadiazol-5-amine IUPAC Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-nitro-N-pyridin-2-yl-2,1,3-benzoxadiazol-5-amine Traditional Name: [4-nitro-7-(4-piperonylpiperazino)benzofurazan-5-yl]-(2-pyridyl)amine Formula: C23H21N7O5 MolecularWeight: 475.45674

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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-])NC6=CC=CC=N6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC(=C(C5=NON=C45)[N+](=O)[O-])NC6=CC=CC=N6

InChI

InChI=1S/C23H21N7O5/c31-30(32)23-16(25-20-3-1-2-6-24-20)12-17(21-22(23)27-35-26-21)29-9-7-28(8-10-29)13-15-4-5-18-19(11-15)34-14-33-18/h1-6,11-12H,7-10,13-14H2,(H,24,25)