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Basic information
- CAS
67767-00-4- Standard SMILES
CCN(CC)CCC1C=CC2=NC3=C(CCCCC3)N3CC(=O)C1=C23- InChIKey
LRBMKUYROQBPOV-UHFFFAOYSA-N- Molecular formula
- C21H29N3O
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.23106256
Names & identifiers
- Preferred name
- 1H,7H-Cyclohepta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9,10,11-tetrahydro-3-(2-(diethylamino)ethyl)-
- IUPAC
- 13-[2-(diethylamino)ethyl]-1,9-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-2(8),9,11,14(17)-tetraen-15-one
Names & synonyms
BRN 089916967767-00-41H,7H-Cyclohepta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9,10,11-tetrahydro-3-(2-(diethylamino)ethyl)-RefChem:236858DTXSID409871043-[2-(Diethylamino)ethyl]-3,7,8,9,10,11-hexahydrocyclohepta[b]pyrrolo[1,2,3-de]quinoxalin-2(1H)-one
Database identifiers
- CAS
67767-00-4- PubChem CID
- 49974
- DTXSID
DTXSID40987104
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 694
Related reactions
0 records
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Compound notes
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