2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-7-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-oxidanyl-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-hydroxy-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-hydroxy-N-phenyl-1-[4-(1-pyrrolidinylmethyl)phenyl]-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-hydroxy-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-hydroxy-N-phenyl-1-[4-(pyrrolidinomethyl)phenyl]-1H-isoquinoline-4-carboxamide Formula: C35H32BrN3O4 MolecularWeight: 638.55028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)C3C4=C(C=CC(=C4)O)C(=CN3CC5=CC6=C(C=C5Br)OCO6)C(=O)NC7=CC=CC=C7

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)C3C4=C(C=CC(=C4)O)C(=CN3CC5=CC6=C(C=C5Br)OCO6)C(=O)NC7=CC=CC=C7

InChI

InChI=1S/C35H32BrN3O4/c36-31-18-33-32(42-22-43-33)16-25(31)20-39-21-30(35(41)37-26-6-2-1-3-7-26)28-13-12-27(40)17-29(28)34(39)24-10-8-23(9-11-24)19-38-14-4-5-15-38/h1-3,6-13,16-18,21,34,40H,4-5,14-15,19-20,22H2,(H,37,41)