2-[4-[(3S)-3-(hydroxymethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl]pyridin-2-yl]-5-(pyridin-3-ylmethoxy)isoquinolin-1-one

Systemtic Name: 2-[4-[(3S)-3-(hydroxymethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl]pyridin-2-yl]-5-(pyridin-3-ylmethoxy)isoquinolin-1-one Openeye Name: 2-[4-[(3S)-3-(hydroxymethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl]-2-pyridyl]-5-(3-pyridylmethoxy)isoquinolin-1-one CAS Name: 2-[4-[(3S)-3-(hydroxymethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl]-2-pyridinyl]-5-(3-pyridinylmethoxy)-1-isoquinolinone IUPAC Name: 2-[4-[(3S)-3-(hydroxymethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl]pyridin-2-yl]-5-(pyridin-3-ylmethoxy)isoquinolin-1-one Traditional Name: 2-[4-[(3S)-6,7-dimethoxy-3-methylol-3,4-dihydroisoquinolin-1-yl]-2-pyridyl]-5-(3-pyridylmethoxy)isocarbostyril Formula: C32H28N4O5 MolecularWeight: 548.58852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(N=C2C3=CC(=NC=C3)N4C=CC5=C(C4=O)C=CC=C5OCC6=CN=CC=C6)CO)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C[C@H](N=C2C3=CC(=NC=C3)N4C=CC5=C(C4=O)C=CC=C5OCC6=CN=CC=C6)CO)OC

InChI

InChI=1S/C32H28N4O5/c1-39-28-14-22-13-23(18-37)35-31(26(22)16-29(28)40-2)21-8-11-34-30(15-21)36-12-9-24-25(32(36)38)6-3-7-27(24)41-19-20-5-4-10-33-17-20/h3-12,14-17,23,37H,13,18-19H2,1-2H3/t23-/m0/s1