Basic information
- Standard SMILES
CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccncc3)CC[C@@H]12.Cl- InChIKey
LNBHDMAZKDTOLZ-FKLPMGAJSA-N- Molecular formula
- C23H29ClN4O
- Average molar mass
- 413 g/mol
Names & identifiers
- Preferred name
- 4-((6bR,10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl)-1-(4-pyridinyl)-1-butanone hydrochloride
- IUPAC
- 4-[(10R,15S)-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]-1-pyridin-4-ylbutan-1-one;hydrochloride
Names & synonyms
SCHEMBL5507270LNBHDMAZKDTOLZ-FKLPMGAJSA-N4-((6bR,10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl)-1-(4-pyridinyl)-1-butanone hydrochloride
Database identifiers
- PubChem CID
- 10216347
Properties
Computed structural properties
- Topological polar surface area
- 39.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 563
Related reactions
4 records
Compound notes
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