2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-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-methyl-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-methyl-1H-isoquinoline-4-carboxamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-N-(3,5-dimethyl-4-isoxazolyl)-7-hydroxy-1-methyl-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-methyl-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-N-(3,5-dimethylisoxazol-4-yl)-7-hydroxy-1-methyl-1H-isoquinoline-4-carboxamide Formula: C24H22BrN3O5 MolecularWeight: 512.35258

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2)O)C(=CN1CC3=CC4=C(C=C3Br)OCO4)C(=O)NC5=C(ON=C5C)C

Isomeric SMILES

CC1C2=C(C=CC(=C2)O)C(=CN1CC3=CC4=C(C=C3Br)OCO4)C(=O)NC5=C(ON=C5C)C

InChI

InChI=1S/C24H22BrN3O5/c1-12-23(14(3)33-27-12)26-24(30)19-10-28(13(2)18-7-16(29)4-5-17(18)19)9-15-6-21-22(8-20(15)25)32-11-31-21/h4-8,10,13,29H,9,11H2,1-3H3,(H,26,30)