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

Systemtic Name: N-ethyl-4-methyl-3-[1-oxidanylidene-7-[2-[(3R)-3-oxidanylpyrrolidin-1-yl]ethoxy]isoquinolin-2-yl]benzamide Openeye Name: N-ethyl-3-[7-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]-1-oxo-2-isoquinolyl]-4-methyl-benzamide CAS Name: N-ethyl-3-[7-[2-[(3R)-3-hydroxy-1-pyrrolidinyl]ethoxy]-1-oxo-2-isoquinolinyl]-4-methylbenzamide IUPAC Name: N-ethyl-3-[7-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]-1-oxoisoquinolin-2-yl]-4-methylbenzamide Traditional Name: N-ethyl-3-[7-[2-[(3R)-3-hydroxypyrrolidino]ethoxy]-1-keto-2-isoquinolyl]-4-methyl-benzamide Formula: C25H29N3O4 MolecularWeight: 435.51546

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)O

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O4/c1-3-26-24(30)19-5-4-17(2)23(14-19)28-11-8-18-6-7-21(15-22(18)25(28)31)32-13-12-27-10-9-20(29)16-27/h4-8,11,14-15,20,29H,3,9-10,12-13,16H2,1-2H3,(H,26,30)/t20-/m1/s1