4-[4-(dimethylaminomethyl)phenyl]-2H-isoquinolin-1-one

Systemtic Name: 4-[4-(dimethylaminomethyl)phenyl]-2H-isoquinolin-1-one Openeye Name: 4-[4-(dimethylaminomethyl)phenyl]-2H-isoquinolin-1-one CAS Name: 4-[4-(dimethylaminomethyl)phenyl]-2H-isoquinolin-1-one IUPAC Name: 4-[4-(dimethylaminomethyl)phenyl]-2H-isoquinolin-1-one Traditional Name: 4-[4-(dimethylaminomethyl)phenyl]isocarbostyril Formula: C18H18N2O MolecularWeight: 278.34832

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)C2=CNC(=O)C3=CC=CC=C32

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)C2=CNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H18N2O/c1-20(2)12-13-7-9-14(10-8-13)17-11-19-18(21)16-6-4-3-5-15(16)17/h3-11H,12H2,1-2H3,(H,19,21)