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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-6-oxidanyl-1-thiophen-2-yl-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-(2-thienyl)-1H-isoquinoline-4-carboxamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-N-(3,5-dimethyl-4-isoxazolyl)-6-hydroxy-7-methoxy-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-6-hydroxy-7-methoxy-1-thiophen-2-yl-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-(2-thienyl)-1H-isoquinoline-4-carboxamide Formula: C28H24BrN3O6S MolecularWeight: 610.47566

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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)C4=CC=CS4)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)C4=CC=CS4)CC5=CC6=C(C=C5Br)OCO6

InChI

InChI=1S/C28H24BrN3O6S/c1-14-26(15(2)38-31-14)30-28(34)19-12-32(11-16-7-23-24(10-20(16)29)37-13-36-23)27(25-5-4-6-39-25)18-9-22(35-3)21(33)8-17(18)19/h4-10,12,27,33H,11,13H2,1-3H3,(H,30,34)