Basic information
- CAS
1668-68-4- Standard SMILES
Cc1ccc2c(c1)N(CCN(C)C)C(=O)c1ccccc1N2- InChIKey
NILIPHMATMTDJX-UHFFFAOYSA-N- Molecular formula
- C18H21N3O
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.1684623
Names & identifiers
- Preferred name
- 5H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-10-(2-(dimethylamino)ethyl)-8-methyl-
- IUPAC
- 5-[2-(dimethylamino)ethyl]-3-methyl-11H-benzo[b][1,4]benzodiazepin-6-one
Names & synonyms
BRN 08947095H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-10-(2-(dimethylamino)ethyl)-8-methyl-1668-68-4DTXSID301681875-24-04-00138 (Beilstein Handbook Reference)10,11-Dihydro-11-oxo-5H-dibenzo(b,e)(1,4)diazepine, 10-(2-(dimethylamino)ethyl)-8-methyl-RefChem:305604DTXCID509067810-[2-(dimethylamino)ethyl]-8-methyl-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
Database identifiers
- CAS
1668-68-4- PubChem CID
- 15468
- DTXSID
DTXSID30168187- Nikkaji
- J72.852G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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