3-[2-[5-ethyl-2-(hydroxymethyl)-3-methyl-pyrrolidin-1-yl]ethyl]-5-methyl-2H-isoquinolin-1-one

Systemtic Name: 3-[2-[5-ethyl-2-(hydroxymethyl)-3-methyl-pyrrolidin-1-yl]ethyl]-5-methyl-2H-isoquinolin-1-one Openeye Name: 3-[2-[5-ethyl-2-(hydroxymethyl)-3-methyl-pyrrolidin-1-yl]ethyl]-5-methyl-2H-isoquinolin-1-one CAS Name: 3-[2-[5-ethyl-2-(hydroxymethyl)-3-methyl-1-pyrrolidinyl]ethyl]-5-methyl-2H-isoquinolin-1-one IUPAC Name: 3-[2-[5-ethyl-2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethyl]-5-methyl-2H-isoquinolin-1-one Traditional Name: 3-[2-(5-ethyl-3-methyl-2-methylol-pyrrolidino)ethyl]-5-methyl-isocarbostyril Formula: C20H28N2O2 MolecularWeight: 328.44852

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(C(N1CCC2=CC3=C(C=CC=C3C)C(=O)N2)CO)C

Isomeric SMILES

CCC1CC(C(N1CCC2=CC3=C(C=CC=C3C)C(=O)N2)CO)C

InChI

InChI=1S/C20H28N2O2/c1-4-16-10-14(3)19(12-23)22(16)9-8-15-11-18-13(2)6-5-7-17(18)20(24)21-15/h5-7,11,14,16,19,23H,4,8-10,12H2,1-3H3,(H,21,24)