N-[(3,3-dimethyl-1-oxidanyl-cyclohexyl)methyl]-2-(2-hydroxyethyl)-1-oxidanylidene-isoquinoline-5-carboxamide

Systemtic Name: N-[(3,3-dimethyl-1-oxidanyl-cyclohexyl)methyl]-2-(2-hydroxyethyl)-1-oxidanylidene-isoquinoline-5-carboxamide Openeye Name: N-[(1-hydroxy-3,3-dimethyl-cyclohexyl)methyl]-2-(2-hydroxyethyl)-1-oxo-isoquinoline-5-carboxamide CAS Name: N-[(1-hydroxy-3,3-dimethylcyclohexyl)methyl]-2-(2-hydroxyethyl)-1-oxo-5-isoquinolinecarboxamide IUPAC Name: N-[(1-hydroxy-3,3-dimethylcyclohexyl)methyl]-2-(2-hydroxyethyl)-1-oxoisoquinoline-5-carboxamide Traditional Name: N-[(1-hydroxy-3,3-dimethyl-cyclohexyl)methyl]-2-(2-hydroxyethyl)-1-keto-isoquinoline-5-carboxamide Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1)(CNC(=O)C2=CC=CC3=C2C=CN(C3=O)CCO)O)C

Isomeric SMILES

CC1(CCCC(C1)(CNC(=O)C2=CC=CC3=C2C=CN(C3=O)CCO)O)C

InChI

InChI=1S/C21H28N2O4/c1-20(2)8-4-9-21(27,13-20)14-22-18(25)16-5-3-6-17-15(16)7-10-23(11-12-24)19(17)26/h3,5-7,10,24,27H,4,8-9,11-14H2,1-2H3,(H,22,25)