N-[[6,7-dimethoxy-1-(3-propan-2-yloxyphenyl)carbonyl-isoquinolin-4-yl]methyl]morpholine-4-carboxamide

Systemtic Name: N-[[6,7-dimethoxy-1-(3-propan-2-yloxyphenyl)carbonyl-isoquinolin-4-yl]methyl]morpholine-4-carboxamide Openeye Name: N-[[1-(3-isopropoxybenzoyl)-6,7-dimethoxy-4-isoquinolyl]methyl]morpholine-4-carboxamide CAS Name: N-[[6,7-dimethoxy-1-[oxo-(3-propan-2-yloxyphenyl)methyl]-4-isoquinolinyl]methyl]-4-morpholinecarboxamide IUPAC Name: N-[[6,7-dimethoxy-1-(3-propan-2-yloxybenzoyl)isoquinolin-4-yl]methyl]morpholine-4-carboxamide Traditional Name: N-[[1-(3-isopropoxybenzoyl)-6,7-dimethoxy-4-isoquinolyl]methyl]morpholine-4-carboxamide Formula: C27H31N3O6 MolecularWeight: 493.55154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)CNC(=O)N4CCOCC4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)CNC(=O)N4CCOCC4

InChI

InChI=1S/C27H31N3O6/c1-17(2)36-20-7-5-6-18(12-20)26(31)25-22-14-24(34-4)23(33-3)13-21(22)19(15-28-25)16-29-27(32)30-8-10-35-11-9-30/h5-7,12-15,17H,8-11,16H2,1-4H3,(H,29,32)