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

Systemtic Name: 7-[4-(3-chlorophenyl)piperazin-1-yl]-4-nitro-N-pyridin-2-yl-2,1,3-benzoxadiazol-5-amine Openeye Name: 7-[4-(3-chlorophenyl)piperazin-1-yl]-4-nitro-N-(2-pyridyl)-2,1,3-benzoxadiazol-5-amine CAS Name: 7-[4-(3-chlorophenyl)-1-piperazinyl]-4-nitro-N-(2-pyridinyl)-2,1,3-benzoxadiazol-5-amine IUPAC Name: 7-[4-(3-chlorophenyl)piperazin-1-yl]-4-nitro-N-pyridin-2-yl-2,1,3-benzoxadiazol-5-amine Traditional Name: [7-[4-(3-chlorophenyl)piperazino]-4-nitro-benzofurazan-5-yl]-(2-pyridyl)amine Formula: C21H18ClN7O3 MolecularWeight: 451.86572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NC5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NC5=CC=CC=N5

InChI

InChI=1S/C21H18ClN7O3/c22-14-4-3-5-15(12-14)27-8-10-28(11-9-27)17-13-16(24-18-6-1-2-7-23-18)21(29(30)31)20-19(17)25-32-26-20/h1-7,12-13H,8-11H2,(H,23,24)