N-[2-[(1-oxidanylcyclohexyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

Systemtic Name: N-[2-[(1-oxidanylcyclohexyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide Openeye Name: N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxo-5-isoquinolyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide CAS Name: N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxo-5-isoquinolinyl]-2,3-dihydro-1,4-benzodioxin-5-carboxamide IUPAC Name: N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxoisoquinolin-5-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide Traditional Name: N-[2-[(1-hydroxycyclohexyl)methyl]-1-keto-5-isoquinolyl]-2,3-dihydro-1,4-benzodioxin-5-carboxamide Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CN2C=CC3=C(C2=O)C=CC=C3NC(=O)C4=C5C(=CC=C4)OCCO5)O

Isomeric SMILES

C1CCC(CC1)(CN2C=CC3=C(C2=O)C=CC=C3NC(=O)C4=C5C(=CC=C4)OCCO5)O

InChI

InChI=1S/C25H26N2O5/c28-23(19-7-5-9-21-22(19)32-15-14-31-21)26-20-8-4-6-18-17(20)10-13-27(24(18)29)16-25(30)11-2-1-3-12-25/h4-10,13,30H,1-3,11-12,14-16H2,(H,26,28)