4-nitro-7-(2-pyridin-3-ylpiperidin-1-yl)-5-pyrrolidin-1-yl-2,1,3-benzoxadiazole

Systemtic Name: 4-nitro-7-(2-pyridin-3-ylpiperidin-1-yl)-5-pyrrolidin-1-yl-2,1,3-benzoxadiazole Openeye Name: 4-nitro-7-[2-(3-pyridyl)-1-piperidyl]-5-pyrrolidin-1-yl-2,1,3-benzoxadiazole CAS Name: 4-nitro-7-[2-(3-pyridinyl)-1-piperidinyl]-5-(1-pyrrolidinyl)-2,1,3-benzoxadiazole IUPAC Name: 4-nitro-7-(2-pyridin-3-ylpiperidin-1-yl)-5-pyrrolidin-1-yl-2,1,3-benzoxadiazole Traditional Name: 4-nitro-7-[2-(3-pyridyl)piperidino]-5-pyrrolidino-benzofurazan Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CN=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCCC5

Isomeric SMILES

C1CCN(C(C1)C2=CN=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCCC5

InChI

InChI=1S/C20H22N6O3/c27-26(28)20-17(24-9-3-4-10-24)12-16(18-19(20)23-29-22-18)25-11-2-1-7-15(25)14-6-5-8-21-13-14/h5-6,8,12-13,15H,1-4,7,9-11H2