3,5-dimethyl-4-[[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]methyl]-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]methyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]methyl]isoxazole CAS Name: 3,5-dimethyl-4-[[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]methyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]methyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[4-(8-nitro-5-isoquinolyl)piperazino]methyl]isoxazole Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O3/c1-13-17(14(2)27-21-13)12-22-7-9-23(10-8-22)18-3-4-19(24(25)26)16-11-20-6-5-15(16)18/h3-6,11H,7-10,12H2,1-2H3