N-ethyl-3-[7-[2-[(3R)-3-fluoranylpyrrolidin-1-yl]ethoxy]-1-oxidanylidene-isoquinolin-2-yl]-4-methyl-benzamide

Systemtic Name: N-ethyl-3-[7-[2-[(3R)-3-fluoranylpyrrolidin-1-yl]ethoxy]-1-oxidanylidene-isoquinolin-2-yl]-4-methyl-benzamide Openeye Name: N-ethyl-3-[7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-1-oxo-2-isoquinolyl]-4-methyl-benzamide CAS Name: N-ethyl-3-[7-[2-[(3R)-3-fluoro-1-pyrrolidinyl]ethoxy]-1-oxo-2-isoquinolinyl]-4-methylbenzamide IUPAC Name: N-ethyl-3-[7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-1-oxoisoquinolin-2-yl]-4-methylbenzamide Traditional Name: N-ethyl-3-[7-[2-[(3R)-3-fluoropyrrolidino]ethoxy]-1-keto-2-isoquinolyl]-4-methyl-benzamide Formula: C25H28FN3O3 MolecularWeight: 437.506523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=C(C=C1)C)N2C=CC3=C(C2=O)C=C(C=C3)OCCN4CCC(C4)F

Isomeric SMILES

CCNC(=O)C1=CC(=C(C=C1)C)N2C=CC3=C(C2=O)C=C(C=C3)OCCN4CC[C@H](C4)F

InChI

InChI=1S/C25H28FN3O3/c1-3-27-24(30)19-5-4-17(2)23(14-19)29-11-8-18-6-7-21(15-22(18)25(29)31)32-13-12-28-10-9-20(26)16-28/h4-8,11,14-15,20H,3,9-10,12-13,16H2,1-2H3,(H,27,30)/t20-/m1/s1