N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylbenzohydrazide
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Basic information
- CAS
414898-20-7- Standard SMILES
O=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1ccccc1- InChIKey
NEVUBFOALFKYOJ-UHFFFAOYSA-N- Molecular formula
- C20H21N3O
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.1684623
Names & identifiers
- Preferred name
- N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylbenzohydrazide
- IUPAC
- N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylbenzohydrazide
- English name
- 5-bromo-N'-[3,4-dihydrospiro(isoquinoline-3,1'-cyclopentane)-1-yl]benzohydrazide
- Molecular formula
- C20H21N3O
- Molecular weight
- 319.40024
Names & synonyms
N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylbenzohydrazide5-bromo-N'-[3,4-dihydrospiro(isoquinoline-3,1'-cyclopentane)-1-yl]benzohydrazideAG-687/36202022SR-01000203199SR-01000203199-1414898-20-7
Database identifiers
- CAS
414898-20-7- PubChem CID
- 791750
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
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Compound notes
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