5-[4-(1-adamantyl)phenoxy]-8-nitro-isoquinoline

Systemtic Name: 5-[4-(1-adamantyl)phenoxy]-8-nitro-isoquinoline Openeye Name: 5-[4-(1-adamantyl)phenoxy]-8-nitro-isoquinoline CAS Name: 5-[4-(1-adamantyl)phenoxy]-8-nitroisoquinoline IUPAC Name: 5-[4-(1-adamantyl)phenoxy]-8-nitroisoquinoline Traditional Name: 5-[4-(1-adamantyl)phenoxy]-8-nitro-isoquinoline Formula: C25H24N2O3 MolecularWeight: 400.46966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OC5=C6C=CN=CC6=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OC5=C6C=CN=CC6=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H24N2O3/c28-27(29)23-5-6-24(21-7-8-26-15-22(21)23)30-20-3-1-19(2-4-20)25-12-16-9-17(13-25)11-18(10-16)14-25/h1-8,15-18H,9-14H2