Isoquino(2,1-d)(1,4)benzodiazepine, 7,9,10,14b-tetrahydro-3-chloro-12,13-dimethoxy-6-(p-tolyl)-
Basic information
- CAS
82802-91-3- Standard SMILES
COc1cc2c(cc1OC)C1c3ccc(Cl)cc3N=C(c3ccc(C)cc3)CN1CC2- InChIKey
KYERHVMBMFQSFC-UHFFFAOYSA-N- Molecular formula
- C26H25ClN2O2
- Average molar mass
- 432.9 g/mol
- Monoisotopic mass
- 432.1604557
Names & identifiers
- Preferred name
- Isoquino(2,1-d)(1,4)benzodiazepine, 7,9,10,14b-tetrahydro-3-chloro-12,13-dimethoxy-6-(p-tolyl)-
- IUPAC
- 3-chloro-12,13-dimethoxy-6-(4-methylphenyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine
Names & synonyms
3-Chloro-12,13-dimethoxy-6-(p-tolyl)-7,9,10,14b-tetrahydroisoquino(2,1-d)(1,4)benzodiazepine82802-91-3Isoquino(2,1-d)(1,4)benzodiazepine, 7,9,10,14b-tetrahydro-3-chloro-12,13-dimethoxy-6-(p-tolyl)-RefChem:349868DTXSID4010029123-chloro-12,13-dimethoxy-6-(4-methylphenyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine
Database identifiers
- CAS
82802-91-3- PubChem CID
- 54914
- DTXSID
DTXSID401002912- Nikkaji
- J68.829K
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 649
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