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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-7-methoxy-6-oxidanyl-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-hydroxy-7-methoxy-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-hydroxy-7-methoxy-N-phenyl-1-[4-(1-pyrrolidinylmethyl)phenyl]-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-hydroxy-7-methoxy-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-hydroxy-7-methoxy-N-phenyl-1-[4-(pyrrolidinomethyl)phenyl]-1H-isoquinoline-4-carboxamide Formula: C36H34BrN3O5 MolecularWeight: 668.57626

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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=C(C=C6)CN7CCCC7)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=C(C=C6)CN7CCCC7)O

InChI

InChI=1S/C36H34BrN3O5/c1-43-32-17-28-27(16-31(32)41)29(36(42)38-26-7-3-2-4-8-26)21-40(20-25-15-33-34(18-30(25)37)45-22-44-33)35(28)24-11-9-23(10-12-24)19-39-13-5-6-14-39/h2-4,7-12,15-18,21,35,41H,5-6,13-14,19-20,22H2,1H3,(H,38,42)