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

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)-7-oxidanyl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-1-cyclopropyl-N-(3,5-dimethylisoxazol-4-yl)-7-hydroxy-1H-isoquinoline-4-carboxamide CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-N-(3,5-dimethyl-4-isoxazolyl)-7-hydroxy-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-1-cyclopropyl-N-(3,5-dimethylisoxazol-4-yl)-7-hydroxy-1H-isoquinoline-4-carboxamide Formula: C27H24ClN3O3S MolecularWeight: 506.01576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=C2C=CC(=C3)O)C4CC4)CC5=C(C6=CC=CC=C6S5)Cl

Isomeric SMILES

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=C2C=CC(=C3)O)C4CC4)CC5=C(C6=CC=CC=C6S5)Cl

InChI

InChI=1S/C27H24ClN3O3S/c1-14-25(15(2)34-30-14)29-27(33)21-12-31(13-23-24(28)19-5-3-4-6-22(19)35-23)26(16-7-8-16)20-11-17(32)9-10-18(20)21/h3-6,9-12,16,26,32H,7-8,13H2,1-2H3,(H,29,33)