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

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1-ethenyl-7-oxidanyl-N-phenyl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-7-hydroxy-N-phenyl-1-vinyl-1H-isoquinoline-4-carboxamide CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-ethenyl-7-hydroxy-N-phenyl-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-ethenyl-7-hydroxy-N-phenyl-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-7-hydroxy-N-phenyl-1-vinyl-1H-isoquinoline-4-carboxamide Formula: C27H21ClN2O2S MolecularWeight: 472.98584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21ClN2O2S/c1-2-23-21-14-18(31)12-13-19(21)22(27(32)29-17-8-4-3-5-9-17)15-30(23)16-25-26(28)20-10-6-7-11-24(20)33-25/h2-15,23,31H,1,16H2,(H,29,32)