5-[2-(4-chlorophenyl)-2-oxidanylidene-ethoxy]-2-(2-ethoxyethyl)isoquinolin-1-one

Systemtic Name: 5-[2-(4-chlorophenyl)-2-oxidanylidene-ethoxy]-2-(2-ethoxyethyl)isoquinolin-1-one Openeye Name: 5-[2-(4-chlorophenyl)-2-oxo-ethoxy]-2-(2-ethoxyethyl)isoquinolin-1-one CAS Name: 5-[2-(4-chlorophenyl)-2-oxoethoxy]-2-(2-ethoxyethyl)-1-isoquinolinone IUPAC Name: 5-[2-(4-chlorophenyl)-2-oxoethoxy]-2-(2-ethoxyethyl)isoquinolin-1-one Traditional Name: 5-[2-(4-chlorophenyl)-2-keto-ethoxy]-2-(2-ethoxyethyl)isocarbostyril Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClNO4/c1-2-26-13-12-23-11-10-17-18(21(23)25)4-3-5-20(17)27-14-19(24)15-6-8-16(22)9-7-15/h3-11H,2,12-14H2,1H3