2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-naphthalen-1-yl]pyridin-2-yl]isoquinolin-3-one

Systemtic Name: 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-naphthalen-1-yl]pyridin-2-yl]isoquinolin-3-one Openeye Name: 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-1-naphthyl]-2-pyridyl]isoquinolin-3-one CAS Name: 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-1-naphthalenyl]-2-pyridinyl]-3-isoquinolinone IUPAC Name: 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]pyridin-2-yl]isoquinolin-3-one Traditional Name: 2-[4-(6,7-dimethoxy-2,3-dimethylol-1-naphthyl)-2-pyridyl]-3-isoquinolone Formula: C28H24N2O5 MolecularWeight: 468.50056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=C(C(=C2C=C1OC)C3=CC(=NC=C3)N4C=C5C=CC=CC5=CC4=O)CO)CO

Isomeric SMILES

COC1=CC2=CC(=C(C(=C2C=C1OC)C3=CC(=NC=C3)N4C=C5C=CC=CC5=CC4=O)CO)CO

InChI

InChI=1S/C28H24N2O5/c1-34-24-10-20-9-21(15-31)23(16-32)28(22(20)13-25(24)35-2)18-7-8-29-26(11-18)30-14-19-6-4-3-5-17(19)12-27(30)33/h3-14,31-32H,15-16H2,1-2H3