5-bromanyl-7-methoxy-1-[(4-methoxy-3-nitro-phenyl)methyl]-8-phenylmethoxy-3,4-dihydroisoquinoline

Systemtic Name: 5-bromanyl-7-methoxy-1-[(4-methoxy-3-nitro-phenyl)methyl]-8-phenylmethoxy-3,4-dihydroisoquinoline Openeye Name: 8-benzyloxy-5-bromo-7-methoxy-1-[(4-methoxy-3-nitro-phenyl)methyl]-3,4-dihydroisoquinoline CAS Name: 5-bromo-7-methoxy-1-[(4-methoxy-3-nitrophenyl)methyl]-8-phenylmethoxy-3,4-dihydroisoquinoline IUPAC Name: 5-bromo-7-methoxy-1-[(4-methoxy-3-nitrophenyl)methyl]-8-phenylmethoxy-3,4-dihydroisoquinoline Traditional Name: 8-benzoxy-5-bromo-7-methoxy-1-(4-methoxy-3-nitro-benzyl)-3,4-dihydroisoquinoline Formula: C25H23BrN2O5 MolecularWeight: 511.36452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NCCC3=C(C=C(C(=C32)OCC4=CC=CC=C4)OC)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NCCC3=C(C=C(C(=C32)OCC4=CC=CC=C4)OC)Br)[N+](=O)[O-]

InChI

InChI=1S/C25H23BrN2O5/c1-31-22-9-8-17(13-21(22)28(29)30)12-20-24-18(10-11-27-20)19(26)14-23(32-2)25(24)33-15-16-6-4-3-5-7-16/h3-9,13-14H,10-12,15H2,1-2H3