6-chloranyl-N-[(4,4-dimethyl-1-oxidanyl-cyclohexyl)methyl]-1-oxidanylidene-2-[(2R)-1-oxidanylpropan-2-yl]isoquinoline-5-carboxamide

Systemtic Name: 6-chloranyl-N-[(4,4-dimethyl-1-oxidanyl-cyclohexyl)methyl]-1-oxidanylidene-2-[(2R)-1-oxidanylpropan-2-yl]isoquinoline-5-carboxamide Openeye Name: 6-chloro-N-[(1-hydroxy-4,4-dimethyl-cyclohexyl)methyl]-2-[(1R)-2-hydroxy-1-methyl-ethyl]-1-oxo-isoquinoline-5-carboxamide CAS Name: 6-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-[(2R)-1-hydroxypropan-2-yl]-1-oxo-5-isoquinolinecarboxamide IUPAC Name: 6-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-[(2R)-1-hydroxypropan-2-yl]-1-oxoisoquinoline-5-carboxamide Traditional Name: 6-chloro-N-[(1-hydroxy-4,4-dimethyl-cyclohexyl)methyl]-2-[(1R)-2-hydroxy-1-methyl-ethyl]-1-keto-isoquinoline-5-carboxamide Formula: C22H29ClN2O4 MolecularWeight: 420.92966

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)N1C=CC2=C(C1=O)C=CC(=C2C(=O)NCC3(CCC(CC3)(C)C)O)Cl

Isomeric SMILES

C[C@H](CO)N1C=CC2=C(C1=O)C=CC(=C2C(=O)NCC3(CCC(CC3)(C)C)O)Cl

InChI

InChI=1S/C22H29ClN2O4/c1-14(12-26)25-11-6-15-16(20(25)28)4-5-17(23)18(15)19(27)24-13-22(29)9-7-21(2,3)8-10-22/h4-6,11,14,26,29H,7-10,12-13H2,1-3H3,(H,24,27)/t14-/m1/s1