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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-7-methoxy-6-oxidanyl-N-phenyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-hydroxy-7-methoxy-N-phenyl-1-(2-thienyl)-1H-isoquinoline-4-carboxamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-hydroxy-7-methoxy-N-phenyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-hydroxy-7-methoxy-N-phenyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-hydroxy-7-methoxy-N-phenyl-1-(2-thienyl)-1H-isoquinoline-4-carboxamide Formula: C29H23BrN2O5S MolecularWeight: 591.47232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(N(C=C2C(=O)NC3=CC=CC=C3)CC4=CC5=C(C=C4Br)OCO5)C6=CC=CS6)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(N(C=C2C(=O)NC3=CC=CC=C3)CC4=CC5=C(C=C4Br)OCO5)C6=CC=CS6)O

InChI

InChI=1S/C29H23BrN2O5S/c1-35-24-12-20-19(11-23(24)33)21(29(34)31-18-6-3-2-4-7-18)15-32(28(20)27-8-5-9-38-27)14-17-10-25-26(13-22(17)30)37-16-36-25/h2-13,15,28,33H,14,16H2,1H3,(H,31,34)