4-ethoxy-N-[2-[(1-oxidanylcyclohexyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]benzamide

Systemtic Name: 4-ethoxy-N-[2-[(1-oxidanylcyclohexyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]benzamide Openeye Name: 4-ethoxy-N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxo-5-isoquinolyl]benzamide CAS Name: 4-ethoxy-N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxo-5-isoquinolinyl]benzamide IUPAC Name: 4-ethoxy-N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxoisoquinolin-5-yl]benzamide Traditional Name: 4-ethoxy-N-[2-[(1-hydroxycyclohexyl)methyl]-1-keto-5-isoquinolyl]benzamide Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4(CCCCC4)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4(CCCCC4)O

InChI

InChI=1S/C25H28N2O4/c1-2-31-19-11-9-18(10-12-19)23(28)26-22-8-6-7-21-20(22)13-16-27(24(21)29)17-25(30)14-4-3-5-15-25/h6-13,16,30H,2-5,14-15,17H2,1H3,(H,26,28)