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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-methyl-7-oxidanyl-N-phenyl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-hydroxy-1-methyl-N-phenyl-1H-isoquinoline-4-carboxamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-hydroxy-1-methyl-N-phenyl-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-hydroxy-1-methyl-N-phenyl-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-hydroxy-1-methyl-N-phenyl-1H-isoquinoline-4-carboxamide Formula: C25H21BrN2O4 MolecularWeight: 493.34924

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2)O)C(=CN1CC3=CC4=C(C=C3Br)OCO4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CC1C2=C(C=CC(=C2)O)C(=CN1CC3=CC4=C(C=C3Br)OCO4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C25H21BrN2O4/c1-15-20-10-18(29)7-8-19(20)21(25(30)27-17-5-3-2-4-6-17)13-28(15)12-16-9-23-24(11-22(16)26)32-14-31-23/h2-11,13,15,29H,12,14H2,1H3,(H,27,30)