2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-7-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-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)-7-hydroxy-1-(2-thienyl)-1H-isoquinoline-4-carboxamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-N-(3,5-dimethyl-4-isoxazolyl)-7-hydroxy-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)-7-hydroxy-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)-7-hydroxy-1-(2-thienyl)-1H-isoquinoline-4-carboxamide Formula: C27H22BrN3O5S MolecularWeight: 580.44968

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

Isomeric SMILES

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=C2C=CC(=C3)O)C4=CC=CS4)CC5=CC6=C(C=C5Br)OCO6

InChI

InChI=1S/C27H22BrN3O5S/c1-14-25(15(2)36-30-14)29-27(33)20-12-31(11-16-8-22-23(10-21(16)28)35-13-34-22)26(24-4-3-7-37-24)19-9-17(32)5-6-18(19)20/h3-10,12,26,32H,11,13H2,1-2H3,(H,29,33)