N-[6-chloranyl-1-oxidanylidene-2-[(2R)-1-oxidanylpropan-2-yl]isoquinolin-5-yl]-2-cycloheptyl-ethanamide

Systemtic Name: N-[6-chloranyl-1-oxidanylidene-2-[(2R)-1-oxidanylpropan-2-yl]isoquinolin-5-yl]-2-cycloheptyl-ethanamide Openeye Name: N-[6-chloro-2-[(1R)-2-hydroxy-1-methyl-ethyl]-1-oxo-5-isoquinolyl]-2-cycloheptyl-acetamide CAS Name: N-[6-chloro-2-[(2R)-1-hydroxypropan-2-yl]-1-oxo-5-isoquinolinyl]-2-cycloheptylacetamide IUPAC Name: N-[6-chloro-2-[(2R)-1-hydroxypropan-2-yl]-1-oxoisoquinolin-5-yl]-2-cycloheptylacetamide Traditional Name: N-[6-chloro-2-[(1R)-2-hydroxy-1-methyl-ethyl]-1-keto-5-isoquinolyl]-2-cycloheptyl-acetamide Formula: C21H27ClN2O3 MolecularWeight: 390.90368

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)N1C=CC2=C(C1=O)C=CC(=C2NC(=O)CC3CCCCCC3)Cl

Isomeric SMILES

C[C@H](CO)N1C=CC2=C(C1=O)C=CC(=C2NC(=O)CC3CCCCCC3)Cl

InChI

InChI=1S/C21H27ClN2O3/c1-14(13-25)24-11-10-16-17(21(24)27)8-9-18(22)20(16)23-19(26)12-15-6-4-2-3-5-7-15/h8-11,14-15,25H,2-7,12-13H2,1H3,(H,23,26)/t14-/m1/s1