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

Systemtic Name: 2-[4-[6,7-diethoxy-2,3-bis(hydroxymethyl)naphthalen-1-yl]pyridin-2-yl]isoquinolin-1-one Openeye Name: 2-[4-[6,7-diethoxy-2,3-bis(hydroxymethyl)-1-naphthyl]-2-pyridyl]isoquinolin-1-one CAS Name: 2-[4-[6,7-diethoxy-2,3-bis(hydroxymethyl)-1-naphthalenyl]-2-pyridinyl]-1-isoquinolinone IUPAC Name: 2-[4-[6,7-diethoxy-2,3-bis(hydroxymethyl)naphthalen-1-yl]pyridin-2-yl]isoquinolin-1-one Traditional Name: 2-[4-(6,7-diethoxy-2,3-dimethylol-1-naphthyl)-2-pyridyl]isocarbostyril Formula: C30H28N2O5 MolecularWeight: 496.55372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=CC(=C(C(=C2C=C1OCC)C3=CC(=NC=C3)N4C=CC5=CC=CC=C5C4=O)CO)CO

Isomeric SMILES

CCOC1=CC2=CC(=C(C(=C2C=C1OCC)C3=CC(=NC=C3)N4C=CC5=CC=CC=C5C4=O)CO)CO

InChI

InChI=1S/C30H28N2O5/c1-3-36-26-14-21-13-22(17-33)25(18-34)29(24(21)16-27(26)37-4-2)20-9-11-31-28(15-20)32-12-10-19-7-5-6-8-23(19)30(32)35/h5-16,33-34H,3-4,17-18H2,1-2H3