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

Systemtic Name: N-[[6,7-dimethoxy-1-(3-propan-2-yloxyphenyl)carbonyl-isoquinolin-4-yl]methyl]-2-pyridin-3-yl-ethanamide Openeye Name: N-[[1-(3-isopropoxybenzoyl)-6,7-dimethoxy-4-isoquinolyl]methyl]-2-(3-pyridyl)acetamide CAS Name: N-[[6,7-dimethoxy-1-[oxo-(3-propan-2-yloxyphenyl)methyl]-4-isoquinolinyl]methyl]-2-(3-pyridinyl)acetamide IUPAC Name: N-[[6,7-dimethoxy-1-(3-propan-2-yloxybenzoyl)isoquinolin-4-yl]methyl]-2-pyridin-3-ylacetamide Traditional Name: N-[[1-(3-isopropoxybenzoyl)-6,7-dimethoxy-4-isoquinolyl]methyl]-2-(3-pyridyl)acetamide Formula: C29H29N3O5 MolecularWeight: 499.55766

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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)CC4=CN=CC=C4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)CNC(=O)CC4=CN=CC=C4

InChI

InChI=1S/C29H29N3O5/c1-18(2)37-22-9-5-8-20(12-22)29(34)28-24-14-26(36-4)25(35-3)13-23(24)21(17-32-28)16-31-27(33)11-19-7-6-10-30-15-19/h5-10,12-15,17-18H,11,16H2,1-4H3,(H,31,33)