N-[2-(2-dimethylaminoethyl)-1-oxidanylidene-isoquinolin-5-yl]-2-(4-fluorophenyl)ethanamide

Systemtic Name: N-[2-(2-dimethylaminoethyl)-1-oxidanylidene-isoquinolin-5-yl]-2-(4-fluorophenyl)ethanamide Openeye Name: N-[2-(2-dimethylaminoethyl)-1-oxo-5-isoquinolyl]-2-(4-fluorophenyl)acetamide CAS Name: N-[2-(2-dimethylaminoethyl)-1-oxo-5-isoquinolinyl]-2-(4-fluorophenyl)acetamide IUPAC Name: N-[2-(2-dimethylaminoethyl)-1-oxoisoquinolin-5-yl]-2-(4-fluorophenyl)acetamide Traditional Name: N-[2-(2-dimethylaminoethyl)-1-keto-5-isoquinolyl]-2-(4-fluorophenyl)acetamide Formula: C21H22FN3O2 MolecularWeight: 367.416683

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C=CC2=C(C1=O)C=CC=C2NC(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

CN(C)CCN1C=CC2=C(C1=O)C=CC=C2NC(=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O2/c1-24(2)12-13-25-11-10-17-18(21(25)27)4-3-5-19(17)23-20(26)14-15-6-8-16(22)9-7-15/h3-11H,12-14H2,1-2H3,(H,23,26)