Basic information
- CAS
85008-86-2- Standard SMILES
CN(C)CCCN1c2ccccc2C2C(c3ccc(Cl)cc3)=NN(c3ccccc3)C2c2ccccc21.Cl- InChIKey
YZRZOIKZDKREBW-UHFFFAOYSA-N- Molecular formula
- C32H32Cl2N4
- Average molar mass
- 543.5 g/mol
- Monoisotopic mass
- 542.2004024
Names & identifiers
- Preferred name
- Dibenzo(b,f)pyrazolo(3,4-d)azepine-8(1H)-propanamine, 3a,12b-dihydro-3-(4-chlorophenyl)-N,N-dimethyl-1-phenyl-, monohydrochloride
- IUPAC
- 3-[5-(4-chlorophenyl)-3-phenyl-3,4,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaen-13-yl]-N,N-dimethylpropan-1-amine;hydrochloride
Names & synonyms
85008-86-2Dibenzo(b,f)pyrazolo(3,4-d)azepine-8(1H)-propanamine, 3a,12b-dihydro-3-(4-chlorophenyl)-N,N-dimethyl-1-phenyl-, monohydrochlorideRefChem:337145DTXSID5010053453-[3-(4-Chlorophenyl)-1-phenyl-3a,12b-dihydrodibenzo[b,f]pyrazolo[3,4-d]azepin-8(1H)-yl]-N,N-dimethylpropan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
85008-86-2- PubChem CID
- 3069656
- DTXSID
DTXSID501005345
Properties
Computed structural properties
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 771
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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