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

Systemtic Name: 5-methyl-3-[1-(phenylmethyl)pyrrolidin-3-yl]-2H-isoquinolin-1-one Openeye Name: 3-(1-benzylpyrrolidin-3-yl)-5-methyl-2H-isoquinolin-1-one CAS Name: 5-methyl-3-[1-(phenylmethyl)-3-pyrrolidinyl]-2H-isoquinolin-1-one IUPAC Name: 3-(1-benzylpyrrolidin-3-yl)-5-methyl-2H-isoquinolin-1-one Traditional Name: 3-(1-benzylpyrrolidin-3-yl)-5-methyl-isocarbostyril Formula: C21H22N2O MolecularWeight: 318.41218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(NC2=O)C3CCN(C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1C=C(NC2=O)C3CCN(C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N2O/c1-15-6-5-9-18-19(15)12-20(22-21(18)24)17-10-11-23(14-17)13-16-7-3-2-4-8-16/h2-9,12,17H,10-11,13-14H2,1H3,(H,22,24)