N-[2-[(1-oxidanylcyclohexyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-[(1-oxidanylcyclohexyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxo-5-isoquinolyl]benzofuran-2-carboxamide CAS Name: N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxo-5-isoquinolinyl]-2-benzofurancarboxamide IUPAC Name: N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxoisoquinolin-5-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-[(1-hydroxycyclohexyl)methyl]-1-keto-5-isoquinolyl]coumarilamide Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CN2C=CC3=C(C2=O)C=CC=C3NC(=O)C4=CC5=CC=CC=C5O4)O

Isomeric SMILES

C1CCC(CC1)(CN2C=CC3=C(C2=O)C=CC=C3NC(=O)C4=CC5=CC=CC=C5O4)O

InChI

InChI=1S/C25H24N2O4/c28-23(22-15-17-7-2-3-10-21(17)31-22)26-20-9-6-8-19-18(20)11-14-27(24(19)29)16-25(30)12-4-1-5-13-25/h2-3,6-11,14-15,30H,1,4-5,12-13,16H2,(H,26,28)