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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-7-methoxy-1-methyl-6-oxidanyl-N-phenyl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-hydroxy-7-methoxy-1-methyl-N-phenyl-1H-isoquinoline-4-carboxamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-hydroxy-7-methoxy-1-methyl-N-phenyl-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-hydroxy-7-methoxy-1-methyl-N-phenyl-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-hydroxy-7-methoxy-1-methyl-N-phenyl-1H-isoquinoline-4-carboxamide Formula: C26H23BrN2O5 MolecularWeight: 523.37522

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2C(=CN1CC3=CC4=C(C=C3Br)OCO4)C(=O)NC5=CC=CC=C5)O)OC

Isomeric SMILES

CC1C2=CC(=C(C=C2C(=CN1CC3=CC4=C(C=C3Br)OCO4)C(=O)NC5=CC=CC=C5)O)OC

InChI

InChI=1S/C26H23BrN2O5/c1-15-18-10-23(32-2)22(30)9-19(18)20(26(31)28-17-6-4-3-5-7-17)13-29(15)12-16-8-24-25(11-21(16)27)34-14-33-24/h3-11,13,15,30H,12,14H2,1-2H3,(H,28,31)