N-(8-bromanyl-2-heptyl-6-nitro-3,4-dihydro-1H-isoquinolin-5-yl)ethanamide

Systemtic Name: N-(8-bromanyl-2-heptyl-6-nitro-3,4-dihydro-1H-isoquinolin-5-yl)ethanamide Openeye Name: N-(8-bromo-2-heptyl-6-nitro-3,4-dihydro-1H-isoquinolin-5-yl)acetamide CAS Name: N-(8-bromo-2-heptyl-6-nitro-3,4-dihydro-1H-isoquinolin-5-yl)acetamide IUPAC Name: N-(8-bromo-2-heptyl-6-nitro-3,4-dihydro-1H-isoquinolin-5-yl)acetamide Traditional Name: N-(8-bromo-2-heptyl-6-nitro-3,4-dihydro-1H-isoquinolin-5-yl)acetamide Formula: C18H26BrN3O3 MolecularWeight: 412.32134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCC2=C(C(=CC(=C2C1)Br)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CCCCCCCN1CCC2=C(C(=CC(=C2C1)Br)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C18H26BrN3O3/c1-3-4-5-6-7-9-21-10-8-14-15(12-21)16(19)11-17(22(24)25)18(14)20-13(2)23/h11H,3-10,12H2,1-2H3,(H,20,23)