N-(3-fluoranyl-4-methyl-phenyl)-6,7-dimethoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-6,7-dimethoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-2-isobutyl-6,7-dimethoxy-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(3-fluoro-4-methylphenyl)-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-6,7-dimethoxy-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2-isobutyl-1-keto-6,7-dimethoxy-isoquinoline-4-carboxamide Formula: C23H25FN2O4 MolecularWeight: 412.454003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CN(C(=O)C3=CC(=C(C=C32)OC)OC)CC(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CN(C(=O)C3=CC(=C(C=C32)OC)OC)CC(C)C)F

InChI

InChI=1S/C23H25FN2O4/c1-13(2)11-26-12-18(22(27)25-15-7-6-14(3)19(24)8-15)16-9-20(29-4)21(30-5)10-17(16)23(26)28/h6-10,12-13H,11H2,1-5H3,(H,25,27)