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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-7-oxidanyl-N-phenyl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-7-hydroxy-N-phenyl-1H-isoquinoline-4-carboxamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-7-hydroxy-N-phenyl-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-7-hydroxy-N-phenyl-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-7-hydroxy-N-phenyl-1H-isoquinoline-4-carboxamide Formula: C27H23BrN2O4 MolecularWeight: 519.38652

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2C3=C(C=CC(=C3)O)C(=CN2CC4=CC5=C(C=C4Br)OCO5)C(=O)NC6=CC=CC=C6

Isomeric SMILES

C1CC1C2C3=C(C=CC(=C3)O)C(=CN2CC4=CC5=C(C=C4Br)OCO5)C(=O)NC6=CC=CC=C6

InChI

InChI=1S/C27H23BrN2O4/c28-23-12-25-24(33-15-34-25)10-17(23)13-30-14-22(27(32)29-18-4-2-1-3-5-18)20-9-8-19(31)11-21(20)26(30)16-6-7-16/h1-5,8-12,14,16,26,31H,6-7,13,15H2,(H,29,32)