2-[1,3-bis(oxidanyl)propan-2-yl]-N-(cyclohexylmethyl)-1-oxidanylidene-isoquinoline-5-carboxamide

Systemtic Name: 2-[1,3-bis(oxidanyl)propan-2-yl]-N-(cyclohexylmethyl)-1-oxidanylidene-isoquinoline-5-carboxamide Openeye Name: N-(cyclohexylmethyl)-2-[2-hydroxy-1-(hydroxymethyl)ethyl]-1-oxo-isoquinoline-5-carboxamide CAS Name: N-(cyclohexylmethyl)-2-(1,3-dihydroxypropan-2-yl)-1-oxo-5-isoquinolinecarboxamide IUPAC Name: N-(cyclohexylmethyl)-2-(1,3-dihydroxypropan-2-yl)-1-oxoisoquinoline-5-carboxamide Traditional Name: N-(cyclohexylmethyl)-2-(2-hydroxy-1-methylol-ethyl)-1-keto-isoquinoline-5-carboxamide Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C2=CC=CC3=C2C=CN(C3=O)C(CO)CO

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=CC=CC3=C2C=CN(C3=O)C(CO)CO

InChI

InChI=1S/C20H26N2O4/c23-12-15(13-24)22-10-9-16-17(7-4-8-18(16)20(22)26)19(25)21-11-14-5-2-1-3-6-14/h4,7-10,14-15,23-24H,1-3,5-6,11-13H2,(H,21,25)