5-chloranyl-3-[2-[2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-2H-isoquinolin-1-one

Systemtic Name: 5-chloranyl-3-[2-[2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-2H-isoquinolin-1-one Openeye Name: 5-chloro-3-[2-[2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-2H-isoquinolin-1-one CAS Name: 5-chloro-3-[2-[2-(methoxymethyl)-1-pyrrolidinyl]ethyl]-2H-isoquinolin-1-one IUPAC Name: 5-chloro-3-[2-[2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-2H-isoquinolin-1-one Traditional Name: 5-chloro-3-[2-[2-(methoxymethyl)pyrrolidino]ethyl]isocarbostyril Formula: C17H21ClN2O2 MolecularWeight: 320.81384

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CCCN1CCC2=CC3=C(C=CC=C3Cl)C(=O)N2

Isomeric SMILES

COCC1CCCN1CCC2=CC3=C(C=CC=C3Cl)C(=O)N2

InChI

InChI=1S/C17H21ClN2O2/c1-22-11-13-4-3-8-20(13)9-7-12-10-15-14(17(21)19-12)5-2-6-16(15)18/h2,5-6,10,13H,3-4,7-9,11H2,1H3,(H,19,21)