2-(3,4-dimethoxyphenyl)-N-[2-[(1-oxidanylcyclohexyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-[2-[(1-oxidanylcyclohexyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-[2-[(1-hydroxycyclohexyl)methyl]-1-keto-5-isoquinolyl]acetamide Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4(CCCCC4)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4(CCCCC4)O)OC

InChI

InChI=1S/C26H30N2O5/c1-32-22-10-9-18(15-23(22)33-2)16-24(29)27-21-8-6-7-20-19(21)11-14-28(25(20)30)17-26(31)12-4-3-5-13-26/h6-11,14-15,31H,3-5,12-13,16-17H2,1-2H3,(H,27,29)