6-chloranyl-N-[[(1R)-3,3-dimethyl-1-oxidanyl-cyclohexyl]methyl]-1-oxidanylidene-2-(1-oxidanylpropan-2-yl)isoquinoline-5-carboxamide

Systemtic Name: 6-chloranyl-N-[[(1R)-3,3-dimethyl-1-oxidanyl-cyclohexyl]methyl]-1-oxidanylidene-2-(1-oxidanylpropan-2-yl)isoquinoline-5-carboxamide Openeye Name: 6-chloro-N-[[(1R)-1-hydroxy-3,3-dimethyl-cyclohexyl]methyl]-2-(2-hydroxy-1-methyl-ethyl)-1-oxo-isoquinoline-5-carboxamide CAS Name: 6-chloro-N-[[(1R)-1-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-(1-hydroxypropan-2-yl)-1-oxo-5-isoquinolinecarboxamide IUPAC Name: 6-chloro-N-[[(1R)-1-hydroxy-3,3-dimethylcyclohexyl]methyl]-2-(1-hydroxypropan-2-yl)-1-oxoisoquinoline-5-carboxamide Traditional Name: 6-chloro-N-[[(1R)-1-hydroxy-3,3-dimethyl-cyclohexyl]methyl]-2-(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(CCCC(C3)(C)C)O)Cl

Isomeric SMILES

CC(CO)N1C=CC2=C(C1=O)C=CC(=C2C(=O)NC[C@]3(CCCC(C3)(C)C)O)Cl

InChI

InChI=1S/C22H29ClN2O4/c1-14(11-26)25-10-7-15-16(20(25)28)5-6-17(23)18(15)19(27)24-13-22(29)9-4-8-21(2,3)12-22/h5-7,10,14,26,29H,4,8-9,11-13H2,1-3H3,(H,24,27)/t14?,22-/m1/s1