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

Systemtic Name: 3-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]-5-methyl-2H-isoquinolin-1-one Openeye Name: 3-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]-5-methyl-2H-isoquinolin-1-one CAS Name: 3-[3-[2-(hydroxymethyl)-1-pyrrolidinyl]propyl]-5-methyl-2H-isoquinolin-1-one IUPAC Name: 3-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]-5-methyl-2H-isoquinolin-1-one Traditional Name: 5-methyl-3-[3-(2-methylolpyrrolidino)propyl]isocarbostyril Formula: C18H24N2O2 MolecularWeight: 300.39536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(NC2=O)CCCN3CCCC3CO

Isomeric SMILES

CC1=CC=CC2=C1C=C(NC2=O)CCCN3CCCC3CO

InChI

InChI=1S/C18H24N2O2/c1-13-5-2-8-16-17(13)11-14(19-18(16)22)6-3-9-20-10-4-7-15(20)12-21/h2,5,8,11,15,21H,3-4,6-7,9-10,12H2,1H3,(H,19,22)