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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethenyl-7-oxidanyl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-N-(3,5-dimethylisoxazol-4-yl)-7-hydroxy-1-vinyl-1H-isoquinoline-4-carboxamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-N-(3,5-dimethyl-4-isoxazolyl)-1-ethenyl-7-hydroxy-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethenyl-7-hydroxy-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-N-(3,5-dimethylisoxazol-4-yl)-7-hydroxy-1-vinyl-1H-isoquinoline-4-carboxamide Formula: C25H22BrN3O5 MolecularWeight: 524.36328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=C2C=CC(=C3)O)C=C)CC4=CC5=C(C=C4Br)OCO5

Isomeric SMILES

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=C2C=CC(=C3)O)C=C)CC4=CC5=C(C=C4Br)OCO5

InChI

InChI=1S/C25H22BrN3O5/c1-4-21-18-8-16(30)5-6-17(18)19(25(31)27-24-13(2)28-34-14(24)3)11-29(21)10-15-7-22-23(9-20(15)26)33-12-32-22/h4-9,11,21,30H,1,10,12H2,2-3H3,(H,27,31)