2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)-7-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-oxidanyl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-N-(3,5-dimethylisoxazol-4-yl)-7-hydroxy-1H-isoquinoline-4-carboxamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-N-(3,5-dimethyl-4-isoxazolyl)-7-hydroxy-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)-7-hydroxy-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-N-(3,5-dimethylisoxazol-4-yl)-7-hydroxy-1H-isoquinoline-4-carboxamide Formula: C26H24BrN3O5 MolecularWeight: 538.38986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=C2C=CC(=C3)O)C4CC4)CC5=CC6=C(C=C5Br)OCO6

Isomeric SMILES

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=C2C=CC(=C3)O)C4CC4)CC5=CC6=C(C=C5Br)OCO6

InChI

InChI=1S/C26H24BrN3O5/c1-13-24(14(2)35-29-13)28-26(32)20-11-30(10-16-7-22-23(9-21(16)27)34-12-33-22)25(15-3-4-15)19-8-17(31)5-6-18(19)20/h5-9,11,15,25,31H,3-4,10,12H2,1-2H3,(H,28,32)