2-(cyclohexylmethyl)-3-[(E)-2-(4-oxidanyl-6-oxidanylidene-oxan-2-yl)ethenyl]-4-propan-2-yl-isoquinolin-1-one

Systemtic Name: 2-(cyclohexylmethyl)-3-[(E)-2-(4-oxidanyl-6-oxidanylidene-oxan-2-yl)ethenyl]-4-propan-2-yl-isoquinolin-1-one Openeye Name: 2-(cyclohexylmethyl)-3-[(E)-2-(4-hydroxy-6-oxo-tetrahydropyran-2-yl)vinyl]-4-isopropyl-isoquinolin-1-one CAS Name: 2-(cyclohexylmethyl)-3-[(E)-2-(4-hydroxy-6-oxo-2-oxanyl)ethenyl]-4-propan-2-yl-1-isoquinolinone IUPAC Name: 2-(cyclohexylmethyl)-3-[(E)-2-(4-hydroxy-6-oxooxan-2-yl)ethenyl]-4-propan-2-ylisoquinolin-1-one Traditional Name: 2-(cyclohexylmethyl)-3-[(E)-2-(4-hydroxy-6-keto-tetrahydropyran-2-yl)vinyl]-4-isopropyl-isocarbostyril Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C(=O)C2=CC=CC=C21)CC3CCCCC3)C=CC4CC(CC(=O)O4)O

Isomeric SMILES

CC(C)C1=C(N(C(=O)C2=CC=CC=C21)CC3CCCCC3)/C=C/C4CC(CC(=O)O4)O

InChI

InChI=1S/C26H33NO4/c1-17(2)25-21-10-6-7-11-22(21)26(30)27(16-18-8-4-3-5-9-18)23(25)13-12-20-14-19(28)15-24(29)31-20/h6-7,10-13,17-20,28H,3-5,8-9,14-16H2,1-2H3/b13-12+