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

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1-methyl-7-oxidanyl-N-phenyl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-7-hydroxy-1-methyl-N-phenyl-1H-isoquinoline-4-carboxamide CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-7-hydroxy-1-methyl-N-phenyl-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-7-hydroxy-1-methyl-N-phenyl-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-7-hydroxy-1-methyl-N-phenyl-1H-isoquinoline-4-carboxamide Formula: C26H21ClN2O2S MolecularWeight: 460.97514

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2)O)C(=CN1CC3=C(C4=CC=CC=C4S3)Cl)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CC1C2=C(C=CC(=C2)O)C(=CN1CC3=C(C4=CC=CC=C4S3)Cl)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C26H21ClN2O2S/c1-16-21-13-18(30)11-12-19(21)22(26(31)28-17-7-3-2-4-8-17)14-29(16)15-24-25(27)20-9-5-6-10-23(20)32-24/h2-14,16,30H,15H2,1H3,(H,28,31)