2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-6-oxidanyl-1H-isoquinoline-4-carboxamide

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-6-oxidanyl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-N-(3,5-dimethylisoxazol-4-yl)-6-hydroxy-7-methoxy-1H-isoquinoline-4-carboxamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-N-(3,5-dimethyl-4-isoxazolyl)-6-hydroxy-7-methoxy-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)-6-hydroxy-7-methoxy-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-N-(3,5-dimethylisoxazol-4-yl)-6-hydroxy-7-methoxy-1H-isoquinoline-4-carboxamide Formula: C27H26BrN3O6 MolecularWeight: 568.41584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=CC(=C(C=C32)O)OC)C4CC4)CC5=CC6=C(C=C5Br)OCO6

Isomeric SMILES

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=CC(=C(C=C32)O)OC)C4CC4)CC5=CC6=C(C=C5Br)OCO6

InChI

InChI=1S/C27H26BrN3O6/c1-13-25(14(2)37-30-13)29-27(33)19-11-31(10-16-6-23-24(9-20(16)28)36-12-35-23)26(15-4-5-15)18-8-22(34-3)21(32)7-17(18)19/h6-9,11,15,26,32H,4-5,10,12H2,1-3H3,(H,29,33)