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

Systemtic Name: N-tert-butyl-2-[3-(3-chloranyl-4-fluoranyl-phenyl)-1-oxidanylidene-7-(3-pyrrolidin-1-ylpropoxy)isoquinolin-2-yl]ethanamide Openeye Name: N-tert-butyl-2-[3-(3-chloro-4-fluoro-phenyl)-1-oxo-7-(3-pyrrolidin-1-ylpropoxy)-2-isoquinolyl]acetamide CAS Name: N-tert-butyl-2-[3-(3-chloro-4-fluorophenyl)-1-oxo-7-[3-(1-pyrrolidinyl)propoxy]-2-isoquinolinyl]acetamide IUPAC Name: N-tert-butyl-2-[3-(3-chloro-4-fluorophenyl)-1-oxo-7-(3-pyrrolidin-1-ylpropoxy)isoquinolin-2-yl]acetamide Traditional Name: N-tert-butyl-2-[3-(3-chloro-4-fluoro-phenyl)-1-keto-7-(3-pyrrolidinopropoxy)-2-isoquinolyl]acetamide Formula: C28H33ClFN3O3 MolecularWeight: 514.031323

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H33ClFN3O3/c1-28(2,3)31-26(34)18-33-25(20-8-10-24(30)23(29)15-20)16-19-7-9-21(17-22(19)27(33)35)36-14-6-13-32-11-4-5-12-32/h7-10,15-17H,4-6,11-14,18H2,1-3H3,(H,31,34)