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

Systemtic Name: 4-nitro-N-(phenylmethyl)-7-(2-pyridin-3-ylpiperidin-1-yl)-2,1,3-benzoxadiazol-5-amine Openeye Name: N-benzyl-4-nitro-7-[2-(3-pyridyl)-1-piperidyl]-2,1,3-benzoxadiazol-5-amine CAS Name: 4-nitro-N-(phenylmethyl)-7-[2-(3-pyridinyl)-1-piperidinyl]-2,1,3-benzoxadiazol-5-amine IUPAC Name: N-benzyl-4-nitro-7-(2-pyridin-3-ylpiperidin-1-yl)-2,1,3-benzoxadiazol-5-amine Traditional Name: benzyl-[4-nitro-7-[2-(3-pyridyl)piperidino]benzofurazan-5-yl]amine Formula: C23H22N6O3 MolecularWeight: 430.45918

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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-])NCC5=CC=CC=C5

Isomeric SMILES

C1CCN(C(C1)C2=CN=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCC5=CC=CC=C5

InChI

InChI=1S/C23H22N6O3/c30-29(31)23-18(25-14-16-7-2-1-3-8-16)13-20(21-22(23)27-32-26-21)28-12-5-4-10-19(28)17-9-6-11-24-15-17/h1-3,6-9,11,13,15,19,25H,4-5,10,12,14H2