N-[2-[(2R)-4-methyl-1-oxidanyl-pentan-2-yl]-1-oxidanylidene-isoquinolin-5-yl]-2-(1-oxidanylcycloheptyl)ethanamide

Systemtic Name: N-[2-[(2R)-4-methyl-1-oxidanyl-pentan-2-yl]-1-oxidanylidene-isoquinolin-5-yl]-2-(1-oxidanylcycloheptyl)ethanamide Openeye Name: 2-(1-hydroxycycloheptyl)-N-[2-[(1R)-1-(hydroxymethyl)-3-methyl-butyl]-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(1-hydroxycycloheptyl)-N-[2-[(2R)-1-hydroxy-4-methylpentan-2-yl]-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-hydroxycycloheptyl)-N-[2-[(2R)-1-hydroxy-4-methylpentan-2-yl]-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(1-hydroxycycloheptyl)-N-[1-keto-2-[(1R)-3-methyl-1-methylol-butyl]-5-isoquinolyl]acetamide Formula: C24H34N2O4 MolecularWeight: 414.53776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CO)N1C=CC2=C(C1=O)C=CC=C2NC(=O)CC3(CCCCCC3)O

Isomeric SMILES

CC(C)C[C@H](CO)N1C=CC2=C(C1=O)C=CC=C2NC(=O)CC3(CCCCCC3)O

InChI

InChI=1S/C24H34N2O4/c1-17(2)14-18(16-27)26-13-10-19-20(23(26)29)8-7-9-21(19)25-22(28)15-24(30)11-5-3-4-6-12-24/h7-10,13,17-18,27,30H,3-6,11-12,14-16H2,1-2H3,(H,25,28)/t18-/m1/s1