(Q82894004)

English

4-Hydroxy-1-[(9-methyl-9-oxo-2,7,8,9,9a,10-hexahydro-9lambda~5~-pyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indol-7-yl)methyl]-1,5-dihydro-2H-imidazol-2-one

chemical compound

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

352.1535405 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₀N₄O₃

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based on heuristic

inferred from SMILES

canonical SMILES

C[N+]1([O-])CC(CN2CC(O)=NC2=O)C2=Cc3cccc4[nH]cc(c34)CC21

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[N+]1([O-])C[C@H](CN2CC(=O)NC2=O)C2=Cc3cccc4[nH]cc(c34)C[C@H]21

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C19H20N4O3/c1-23(26)10-13(8-22-9-17(24)21-19(22)25)14-5-11-3-2-4-15-18(11)12(7-20-15)6-16(14)23/h2-5,7,13,16,20H,6,8-10H2,1H3,(H,21,24,25)/t13-,16+,23?/m0/s1

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InChIKey

JLHBAWJYPHWGCU-RPYGVECJSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID401350125

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(Q82894004)

4-Hydroxy-1-[(9-methyl-9-oxo-2,7,8,9,9a,10-hexahydro-9lambda~5~-pyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indol-7-yl)methyl]-1,5-dihydro-2H-imidazol-2-one

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