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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-7-methoxy-6-oxidanyl-N-phenyl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-6-hydroxy-7-methoxy-N-phenyl-1H-isoquinoline-4-carboxamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-6-hydroxy-7-methoxy-N-phenyl-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-6-hydroxy-7-methoxy-N-phenyl-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-6-hydroxy-7-methoxy-N-phenyl-1H-isoquinoline-4-carboxamide Formula: C28H25BrN2O5 MolecularWeight: 549.4125

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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)C6CC6)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(N(C=C2C(=O)NC3=CC=CC=C3)CC4=CC5=C(C=C4Br)OCO5)C6CC6)O

InChI

InChI=1S/C28H25BrN2O5/c1-34-24-11-20-19(10-23(24)32)21(28(33)30-18-5-3-2-4-6-18)14-31(27(20)16-7-8-16)13-17-9-25-26(12-22(17)29)36-15-35-25/h2-6,9-12,14,16,27,32H,7-8,13,15H2,1H3,(H,30,33)