Basic information
- CAS
1248-22-2- Standard SMILES
CCN(CC)CCCN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21.Cl.Cl- InChIKey
ACRXWCHOYGQNEI-UHFFFAOYSA-N- Molecular formula
- C22H28Cl3N3O
- Average molar mass
- 456.8 g/mol
- Monoisotopic mass
- 455.129796
Names & identifiers
- Preferred name
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(3-(diethylamino)propyl)-5-phenyl-, dihydrochloride
- IUPAC
- 7-chloro-1-[3-(diethylamino)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one;dihydrochloride
Names & synonyms
1248-22-22H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(3-(diethylamino)propyl)-5-phenyl-, dihydrochlorideDTXSID501544867-Chloro-1-(3-(diethylamino)propyl)-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one 2HClRefChem:267877DTXCID90769777-Chloro-1-[3-(diethylamino)propyl]-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one--hydrogen chloride (1/2)
Database identifiers
- CAS
1248-22-2- PubChem CID
- 14727
- DTXSID
DTXSID50154486
Properties
Computed structural properties
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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