2-(1,3-benzodioxol-5-yl)-N-[2-[(1-oxidanylcyclohexyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

C1CCC(CC1)(CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC4=CC5=C(C=C4)OCO5)O

InChI

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