7-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazole

Systemtic Name: 7-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazole Openeye Name: 7-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazole CAS Name: 7-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-5-(1-pyrrolidinyl)-2,1,3-benzoxadiazole IUPAC Name: 7-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazole Traditional Name: 7-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-5-pyrrolidino-benzofurazan Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCCC5)OC)OC

Isomeric SMILES

CC1C2=CC(=C(C=C2CCN1C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCCC5)OC)OC

InChI

InChI=1S/C22H25N5O5/c1-13-15-11-19(31-3)18(30-2)10-14(15)6-9-26(13)16-12-17(25-7-4-5-8-25)22(27(28)29)21-20(16)23-32-24-21/h10-13H,4-9H2,1-3H3