N-(3-methoxypropyl)-4-nitro-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine

Systemtic Name: N-(3-methoxypropyl)-4-nitro-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Openeye Name: N-(3-methoxypropyl)-4-nitro-N-(2-pyridylmethyl)-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine CAS Name: N-(3-methoxypropyl)-4-nitro-N-(2-pyridinylmethyl)-5-(1-pyrrolidinyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-(3-methoxypropyl)-4-nitro-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Traditional Name: 3-methoxypropyl-(7-nitro-6-pyrrolidino-benzofurazan-4-yl)-(2-pyridylmethyl)amine Formula: C20H24N6O4 MolecularWeight: 412.44236

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(CC1=CC=CC=N1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

COCCCN(CC1=CC=CC=N1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C20H24N6O4/c1-29-12-6-11-25(14-15-7-2-3-8-21-15)16-13-17(24-9-4-5-10-24)20(26(27)28)19-18(16)22-30-23-19/h2-3,7-8,13H,4-6,9-12,14H2,1H3