2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-7-oxidanyl-1H-isoquinoline-4-carboxamide

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-7-oxidanyl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-N-(3,5-dimethylisoxazol-4-yl)-7-hydroxy-1-methyl-1H-isoquinoline-4-carboxamide CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-(3,5-dimethyl-4-isoxazolyl)-7-hydroxy-1-methyl-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-methyl-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-N-(3,5-dimethylisoxazol-4-yl)-7-hydroxy-1-methyl-1H-isoquinoline-4-carboxamide Formula: C25H22ClN3O3S MolecularWeight: 479.97848

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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=C(ON=C5C)C

Isomeric SMILES

CC1C2=C(C=CC(=C2)O)C(=CN1CC3=C(C4=CC=CC=C4S3)Cl)C(=O)NC5=C(ON=C5C)C

InChI

InChI=1S/C25H22ClN3O3S/c1-13-24(15(3)32-28-13)27-25(31)20-11-29(14(2)19-10-16(30)8-9-17(19)20)12-22-23(26)18-6-4-5-7-21(18)33-22/h4-11,14,30H,12H2,1-3H3,(H,27,31)