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

Systemtic Name: 2-[1,3-bis(oxidanyl)propan-2-yl]-N-[(1-oxidanylcycloheptyl)methyl]-1-oxidanylidene-isoquinoline-5-carboxamide Openeye Name: N-[(1-hydroxycycloheptyl)methyl]-2-[2-hydroxy-1-(hydroxymethyl)ethyl]-1-oxo-isoquinoline-5-carboxamide CAS Name: 2-(1,3-dihydroxypropan-2-yl)-N-[(1-hydroxycycloheptyl)methyl]-1-oxo-5-isoquinolinecarboxamide IUPAC Name: 2-(1,3-dihydroxypropan-2-yl)-N-[(1-hydroxycycloheptyl)methyl]-1-oxoisoquinoline-5-carboxamide Traditional Name: N-[(1-hydroxycycloheptyl)methyl]-2-(2-hydroxy-1-methylol-ethyl)-1-keto-isoquinoline-5-carboxamide Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CNC(=O)C2=CC=CC3=C2C=CN(C3=O)C(CO)CO)O

Isomeric SMILES

C1CCCC(CC1)(CNC(=O)C2=CC=CC3=C2C=CN(C3=O)C(CO)CO)O

InChI

InChI=1S/C21H28N2O5/c24-12-15(13-25)23-11-8-16-17(6-5-7-18(16)20(23)27)19(26)22-14-21(28)9-3-1-2-4-10-21/h5-8,11,15,24-25,28H,1-4,9-10,12-14H2,(H,22,26)