3-(dimethylamino)-N-(5-fluoranylisoquinolin-6-yl)-2-(phenylmethyl)butanamide

Systemtic Name: 3-(dimethylamino)-N-(5-fluoranylisoquinolin-6-yl)-2-(phenylmethyl)butanamide Openeye Name: 2-benzyl-3-(dimethylamino)-N-(5-fluoro-6-isoquinolyl)butanamide CAS Name: 3-(dimethylamino)-N-(5-fluoro-6-isoquinolinyl)-2-(phenylmethyl)butanamide IUPAC Name: 2-benzyl-3-(dimethylamino)-N-(5-fluoroisoquinolin-6-yl)butanamide Traditional Name: 2-benzyl-3-(dimethylamino)-N-(5-fluoro-6-isoquinolyl)butyramide Formula: C22H24FN3O MolecularWeight: 365.443863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC=C1)C(=O)NC2=C(C3=C(C=C2)C=NC=C3)F)N(C)C

Isomeric SMILES

CC(C(CC1=CC=CC=C1)C(=O)NC2=C(C3=C(C=C2)C=NC=C3)F)N(C)C

InChI

InChI=1S/C22H24FN3O/c1-15(26(2)3)19(13-16-7-5-4-6-8-16)22(27)25-20-10-9-17-14-24-12-11-18(17)21(20)23/h4-12,14-15,19H,13H2,1-3H3,(H,25,27)