2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethenyl-7-methoxy-6-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-methoxy-6-oxidanyl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-N-(3,5-dimethylisoxazol-4-yl)-6-hydroxy-7-methoxy-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-6-hydroxy-7-methoxy-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-6-hydroxy-7-methoxy-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-N-(3,5-dimethylisoxazol-4-yl)-6-hydroxy-7-methoxy-1-vinyl-1H-isoquinoline-4-carboxamide Formula: C26H24BrN3O6 MolecularWeight: 554.38926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=CC(=C(C=C32)O)OC)C=C)CC4=CC5=C(C=C4Br)OCO5

Isomeric SMILES

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=CC(=C(C=C32)O)OC)C=C)CC4=CC5=C(C=C4Br)OCO5

InChI

InChI=1S/C26H24BrN3O6/c1-5-20-17-8-22(33-4)21(31)7-16(17)18(26(32)28-25-13(2)29-36-14(25)3)11-30(20)10-15-6-23-24(9-19(15)27)35-12-34-23/h5-9,11,20,31H,1,10,12H2,2-4H3,(H,28,32)