2-(2-chloranylpyrimidin-4-yl)-6-methoxy-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(2-chloranylpyrimidin-4-yl)-6-methoxy-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 1-[(4-benzyloxyphenyl)methyl]-2-(2-chloropyrimidin-4-yl)-6-methoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-(2-chloro-4-pyrimidinyl)-6-methoxy-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(2-chloropyrimidin-4-yl)-6-methoxy-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 1-(4-benzoxybenzyl)-2-(2-chloropyrimidin-4-yl)-6-methoxy-3,4-dihydro-1H-isoquinoline Formula: C28H26ClN3O2 MolecularWeight: 471.97794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(N(CC2)C3=NC(=NC=C3)Cl)CC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(N(CC2)C3=NC(=NC=C3)Cl)CC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H26ClN3O2/c1-33-24-11-12-25-22(18-24)14-16-32(27-13-15-30-28(29)31-27)26(25)17-20-7-9-23(10-8-20)34-19-21-5-3-2-4-6-21/h2-13,15,18,26H,14,16-17,19H2,1H3