5-[2-(4-methoxyphenyl)-2-oxidanylidene-ethoxy]-2-propyl-isoquinolin-1-one

Systemtic Name: 5-[2-(4-methoxyphenyl)-2-oxidanylidene-ethoxy]-2-propyl-isoquinolin-1-one Openeye Name: 5-[2-(4-methoxyphenyl)-2-oxo-ethoxy]-2-propyl-isoquinolin-1-one CAS Name: 5-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-propyl-1-isoquinolinone IUPAC Name: 5-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-propylisoquinolin-1-one Traditional Name: 5-[2-keto-2-(4-methoxyphenyl)ethoxy]-2-propyl-isocarbostyril Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21NO4/c1-3-12-22-13-11-17-18(21(22)24)5-4-6-20(17)26-14-19(23)15-7-9-16(25-2)10-8-15/h4-11,13H,3,12,14H2,1-2H3