2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-7-methoxy-6-oxidanyl-N-phenyl-1H-isoquinoline-4-carboxamide

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-7-methoxy-6-oxidanyl-N-phenyl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-1-cyclopropyl-6-hydroxy-7-methoxy-N-phenyl-1H-isoquinoline-4-carboxamide CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-6-hydroxy-7-methoxy-N-phenyl-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-6-hydroxy-7-methoxy-N-phenyl-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-1-cyclopropyl-6-hydroxy-7-methoxy-N-phenyl-1H-isoquinoline-4-carboxamide Formula: C29H25ClN2O3S MolecularWeight: 517.0384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(N(C=C2C(=O)NC3=CC=CC=C3)CC4=C(C5=CC=CC=C5S4)Cl)C6CC6)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(N(C=C2C(=O)NC3=CC=CC=C3)CC4=C(C5=CC=CC=C5S4)Cl)C6CC6)O

InChI

InChI=1S/C29H25ClN2O3S/c1-35-24-14-21-20(13-23(24)33)22(29(34)31-18-7-3-2-4-8-18)15-32(28(21)17-11-12-17)16-26-27(30)19-9-5-6-10-25(19)36-26/h2-10,13-15,17,28,33H,11-12,16H2,1H3,(H,31,34)