Basic information
- Standard SMILES
CC1CN2c3c(cc(-c4ccc(Cl)cc4Cl)cc3C3CNCCC32)N1- InChIKey
ABJFSAOOYBZRSB-UHFFFAOYSA-N- Molecular formula
- C20H21Cl2N3
- Average molar mass
- 374.3 g/mol
Names & identifiers
- Preferred name
- 5-(2,4-dichlorophenyl)-2-methyl-2,3,6b,7,8,9,10,10a-octahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline
- IUPAC
- 7-(2,4-dichlorophenyl)-3-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
Names & synonyms
SCHEMBL5510427ABJFSAOOYBZRSB-UHFFFAOYSA-N5-(2,4-dichlorophenyl)-2-methyl-2,3,6b,7,8,9,10,10a-octahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline
Database identifiers
- PubChem CID
- 22036734
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 503
Related reactions
4 records
Compound notes
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