N-tert-butyl-2-[3-(4-fluoranyl-3-methoxy-phenyl)-1-oxidanylidene-7-(3-pyrrolidin-1-ylpropoxy)isoquinolin-2-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[3-(4-fluoranyl-3-methoxy-phenyl)-1-oxidanylidene-7-(3-pyrrolidin-1-ylpropoxy)isoquinolin-2-yl]ethanamide Openeye Name: N-tert-butyl-2-[3-(4-fluoro-3-methoxy-phenyl)-1-oxo-7-(3-pyrrolidin-1-ylpropoxy)-2-isoquinolyl]acetamide CAS Name: N-tert-butyl-2-[3-(4-fluoro-3-methoxyphenyl)-1-oxo-7-[3-(1-pyrrolidinyl)propoxy]-2-isoquinolinyl]acetamide IUPAC Name: N-tert-butyl-2-[3-(4-fluoro-3-methoxyphenyl)-1-oxo-7-(3-pyrrolidin-1-ylpropoxy)isoquinolin-2-yl]acetamide Traditional Name: N-tert-butyl-2-[3-(4-fluoro-3-methoxy-phenyl)-1-keto-7-(3-pyrrolidinopropoxy)-2-isoquinolyl]acetamide Formula: C29H36FN3O4 MolecularWeight: 509.612243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1C(=CC2=C(C1=O)C=C(C=C2)OCCCN3CCCC3)C4=CC(=C(C=C4)F)OC

Isomeric SMILES

CC(C)(C)NC(=O)CN1C(=CC2=C(C1=O)C=C(C=C2)OCCCN3CCCC3)C4=CC(=C(C=C4)F)OC

InChI

InChI=1S/C29H36FN3O4/c1-29(2,3)31-27(34)19-33-25(21-9-11-24(30)26(17-21)36-4)16-20-8-10-22(18-23(20)28(33)35)37-15-7-14-32-12-5-6-13-32/h8-11,16-18H,5-7,12-15,19H2,1-4H3,(H,31,34)