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

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-7-methoxy-1-methyl-6-oxidanyl-N-phenyl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-6-hydroxy-7-methoxy-1-methyl-N-phenyl-1H-isoquinoline-4-carboxamide CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-hydroxy-7-methoxy-1-methyl-N-phenyl-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-hydroxy-7-methoxy-1-methyl-N-phenyl-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-6-hydroxy-7-methoxy-1-methyl-N-phenyl-1H-isoquinoline-4-carboxamide Formula: C27H23ClN2O3S MolecularWeight: 491.00112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2C(=CN1CC3=C(C4=CC=CC=C4S3)Cl)C(=O)NC5=CC=CC=C5)O)OC

Isomeric SMILES

CC1C2=CC(=C(C=C2C(=CN1CC3=C(C4=CC=CC=C4S3)Cl)C(=O)NC5=CC=CC=C5)O)OC

InChI

InChI=1S/C27H23ClN2O3S/c1-16-19-13-23(33-2)22(31)12-20(19)21(27(32)29-17-8-4-3-5-9-17)14-30(16)15-25-26(28)18-10-6-7-11-24(18)34-25/h3-14,16,31H,15H2,1-2H3,(H,29,32)