1-[5-[[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]carbonylamino]-2-fluoranyl-phenyl]-N-butan-2-yl-N-methyl-isoquinoline-3-carboxamide

Systemtic Name: 1-[5-[[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]carbonylamino]-2-fluoranyl-phenyl]-N-butan-2-yl-N-methyl-isoquinoline-3-carboxamide Openeye Name: 1-[5-[(3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-carbonyl)amino]-2-fluoro-phenyl]-N-methyl-N-sec-butyl-isoquinoline-3-carboxamide CAS Name: N-butan-2-yl-1-[5-[[(3',6'-dihydroxy-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]yl)-oxomethyl]amino]-2-fluorophenyl]-N-methyl-3-isoquinolinecarboxamide IUPAC Name: N-butan-2-yl-1-[5-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl)amino]-2-fluorophenyl]-N-methylisoquinoline-3-carboxamide Traditional Name: 1-[5-[(3',6'-dihydroxy-3-keto-spiro[phthalan-1,9'-xanthene]-5-carbonyl)amino]-2-fluoro-phenyl]-N-methyl-N-sec-butyl-isoquinoline-3-carboxamide Formula: C42H32FN3O7 MolecularWeight: 709.717783

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=C(C=CC(=C3)NC(=O)C4=CC5=C(C=C4)C6(C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O)OC5=O)F

Isomeric SMILES

CCC(C)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=C(C=CC(=C3)NC(=O)C4=CC5=C(C=C4)C6(C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O)OC5=O)F

InChI

InChI=1S/C42H32FN3O7/c1-4-22(2)46(3)40(50)35-18-23-7-5-6-8-28(23)38(45-35)30-19-25(10-16-34(30)43)44-39(49)24-9-13-31-29(17-24)41(51)53-42(31)32-14-11-26(47)20-36(32)52-37-21-27(48)12-15-33(37)42/h5-22,47-48H,4H2,1-3H3,(H,44,49)