6-chloranyl-N-[(1-oxidanylcyclohexyl)methyl]-1-oxidanylidene-2-[(2R)-1-oxidanylpropan-2-yl]isoquinoline-5-carboxamide

Systemtic Name: 6-chloranyl-N-[(1-oxidanylcyclohexyl)methyl]-1-oxidanylidene-2-[(2R)-1-oxidanylpropan-2-yl]isoquinoline-5-carboxamide Openeye Name: 6-chloro-N-[(1-hydroxycyclohexyl)methyl]-2-[(1R)-2-hydroxy-1-methyl-ethyl]-1-oxo-isoquinoline-5-carboxamide CAS Name: 6-chloro-N-[(1-hydroxycyclohexyl)methyl]-2-[(2R)-1-hydroxypropan-2-yl]-1-oxo-5-isoquinolinecarboxamide IUPAC Name: 6-chloro-N-[(1-hydroxycyclohexyl)methyl]-2-[(2R)-1-hydroxypropan-2-yl]-1-oxoisoquinoline-5-carboxamide Traditional Name: 6-chloro-N-[(1-hydroxycyclohexyl)methyl]-2-[(1R)-2-hydroxy-1-methyl-ethyl]-1-keto-isoquinoline-5-carboxamide Formula: C20H25ClN2O4 MolecularWeight: 392.8765

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)N1C=CC2=C(C1=O)C=CC(=C2C(=O)NCC3(CCCCC3)O)Cl

Isomeric SMILES

C[C@H](CO)N1C=CC2=C(C1=O)C=CC(=C2C(=O)NCC3(CCCCC3)O)Cl

InChI

InChI=1S/C20H25ClN2O4/c1-13(11-24)23-10-7-14-15(19(23)26)5-6-16(21)17(14)18(25)22-12-20(27)8-3-2-4-9-20/h5-7,10,13,24,27H,2-4,8-9,11-12H2,1H3,(H,22,25)/t13-/m1/s1