N-[(4-chloranyl-3-fluoranyl-phenyl)methyl]-6-methyl-1-oxidanylidene-2-[(2R)-1-oxidanylpropan-2-yl]isoquinoline-5-carboxamide

Systemtic Name: N-[(4-chloranyl-3-fluoranyl-phenyl)methyl]-6-methyl-1-oxidanylidene-2-[(2R)-1-oxidanylpropan-2-yl]isoquinoline-5-carboxamide Openeye Name: N-[(4-chloro-3-fluoro-phenyl)methyl]-2-[(1R)-2-hydroxy-1-methyl-ethyl]-6-methyl-1-oxo-isoquinoline-5-carboxamide CAS Name: N-[(4-chloro-3-fluorophenyl)methyl]-2-[(2R)-1-hydroxypropan-2-yl]-6-methyl-1-oxo-5-isoquinolinecarboxamide IUPAC Name: N-[(4-chloro-3-fluorophenyl)methyl]-2-[(2R)-1-hydroxypropan-2-yl]-6-methyl-1-oxoisoquinoline-5-carboxamide Traditional Name: N-(4-chloro-3-fluoro-benzyl)-2-[(1R)-2-hydroxy-1-methyl-ethyl]-1-keto-6-methyl-isoquinoline-5-carboxamide Formula: C21H20ClFN2O3 MolecularWeight: 402.846503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)N(C=C2)C(C)CO)C(=O)NCC3=CC(=C(C=C3)Cl)F

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)N(C=C2)[C@H](C)CO)C(=O)NCC3=CC(=C(C=C3)Cl)F

InChI

InChI=1S/C21H20ClFN2O3/c1-12-3-5-16-15(7-8-25(21(16)28)13(2)11-26)19(12)20(27)24-10-14-4-6-17(22)18(23)9-14/h3-9,13,26H,10-11H2,1-2H3,(H,24,27)/t13-/m1/s1