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

Systemtic Name: N-[[6,7-dimethoxy-1-(3-propan-2-yloxyphenyl)carbonyl-isoquinolin-4-yl]methyl]pyrazine-2-carboxamide Openeye Name: N-[[1-(3-isopropoxybenzoyl)-6,7-dimethoxy-4-isoquinolyl]methyl]pyrazine-2-carboxamide CAS Name: N-[[6,7-dimethoxy-1-[oxo-(3-propan-2-yloxyphenyl)methyl]-4-isoquinolinyl]methyl]-2-pyrazinecarboxamide IUPAC Name: N-[[6,7-dimethoxy-1-(3-propan-2-yloxybenzoyl)isoquinolin-4-yl]methyl]pyrazine-2-carboxamide Traditional Name: N-[[1-(3-isopropoxybenzoyl)-6,7-dimethoxy-4-isoquinolyl]methyl]pyrazinamide Formula: C27H26N4O5 MolecularWeight: 486.51914

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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=NC=CN=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O5/c1-16(2)36-19-7-5-6-17(10-19)26(32)25-21-12-24(35-4)23(34-3)11-20(21)18(13-30-25)14-31-27(33)22-15-28-8-9-29-22/h5-13,15-16H,14H2,1-4H3,(H,31,33)