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

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-7-oxidanyl-N-phenyl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-1-cyclopropyl-7-hydroxy-N-phenyl-1H-isoquinoline-4-carboxamide CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-7-hydroxy-N-phenyl-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-7-hydroxy-N-phenyl-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-1-cyclopropyl-7-hydroxy-N-phenyl-1H-isoquinoline-4-carboxamide Formula: C28H23ClN2O2S MolecularWeight: 487.01242

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2C3=C(C=CC(=C3)O)C(=CN2CC4=C(C5=CC=CC=C5S4)Cl)C(=O)NC6=CC=CC=C6

Isomeric SMILES

C1CC1C2C3=C(C=CC(=C3)O)C(=CN2CC4=C(C5=CC=CC=C5S4)Cl)C(=O)NC6=CC=CC=C6

InChI

InChI=1S/C28H23ClN2O2S/c29-26-21-8-4-5-9-24(21)34-25(26)16-31-15-23(28(33)30-18-6-2-1-3-7-18)20-13-12-19(32)14-22(20)27(31)17-10-11-17/h1-9,12-15,17,27,32H,10-11,16H2,(H,30,33)