1-[[3,5-bis(bromanyl)-4-methoxy-phenyl]methyl]-7-nitro-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 1-[[3,5-bis(bromanyl)-4-methoxy-phenyl]methyl]-7-nitro-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 6-benzyloxy-1-[(3,5-dibromo-4-methoxy-phenyl)methyl]-7-nitro-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-[(3,5-dibromo-4-methoxyphenyl)methyl]-7-nitro-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-[(3,5-dibromo-4-methoxyphenyl)methyl]-7-nitro-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 6-benzoxy-1-(3,5-dibromo-4-methoxy-benzyl)-7-nitro-1,2,3,4-tetrahydroisoquinoline Formula: C24H22Br2N2O4 MolecularWeight: 562.25048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Br)CC2C3=CC(=C(C=C3CCN2)OCC4=CC=CC=C4)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1Br)CC2C3=CC(=C(C=C3CCN2)OCC4=CC=CC=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C24H22Br2N2O4/c1-31-24-19(25)9-16(10-20(24)26)11-21-18-13-22(28(29)30)23(12-17(18)7-8-27-21)32-14-15-5-3-2-4-6-15/h2-6,9-10,12-13,21,27H,7-8,11,14H2,1H3