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

Systemtic Name: N-[[6,7-dimethoxy-1-(3-propan-2-yloxyphenyl)carbonyl-isoquinolin-4-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[1-(3-isopropoxybenzoyl)-6,7-dimethoxy-4-isoquinolyl]methyl]pyridine-3-carboxamide CAS Name: N-[[6,7-dimethoxy-1-[oxo-(3-propan-2-yloxyphenyl)methyl]-4-isoquinolinyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[6,7-dimethoxy-1-(3-propan-2-yloxybenzoyl)isoquinolin-4-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[1-(3-isopropoxybenzoyl)-6,7-dimethoxy-4-isoquinolyl]methyl]nicotinamide Formula: C28H27N3O5 MolecularWeight: 485.53108

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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)C4=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)C4=CN=CC=C4

InChI

InChI=1S/C28H27N3O5/c1-17(2)36-21-9-5-7-18(11-21)27(32)26-23-13-25(35-4)24(34-3)12-22(23)20(15-30-26)16-31-28(33)19-8-6-10-29-14-19/h5-15,17H,16H2,1-4H3,(H,31,33)