2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-7-methoxy-6-oxidanyl-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-7-methoxy-6-oxidanyl-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-6-hydroxy-7-methoxy-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-hydroxy-7-methoxy-N-phenyl-1-[4-(1-pyrrolidinylmethyl)phenyl]-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-hydroxy-7-methoxy-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-6-hydroxy-7-methoxy-N-phenyl-1-[4-(pyrrolidinomethyl)phenyl]-1H-isoquinoline-4-carboxamide Formula: C37H34ClN3O3S MolecularWeight: 636.20216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(N(C=C2C(=O)NC3=CC=CC=C3)CC4=C(C5=CC=CC=C5S4)Cl)C6=CC=C(C=C6)CN7CCCC7)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(N(C=C2C(=O)NC3=CC=CC=C3)CC4=C(C5=CC=CC=C5S4)Cl)C6=CC=C(C=C6)CN7CCCC7)O

InChI

InChI=1S/C37H34ClN3O3S/c1-44-32-20-29-28(19-31(32)42)30(37(43)39-26-9-3-2-4-10-26)22-41(23-34-35(38)27-11-5-6-12-33(27)45-34)36(29)25-15-13-24(14-16-25)21-40-17-7-8-18-40/h2-6,9-16,19-20,22,36,42H,7-8,17-18,21,23H2,1H3,(H,39,43)