Basic information
- CAS
54971-42-5- Standard SMILES
CCC1C(=O)Nc2ccccc2C2c3cc(OC)c(OC)cc3CCN12- InChIKey
MJRBITKFRUYHCC-UHFFFAOYSA-N- Molecular formula
- C21H24N2O3
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.17869263
Names & identifiers
- Preferred name
- Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-12,13-dimethoxy-7-ethyl-
- IUPAC
- 7-ethyl-12,13-dimethoxy-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one
Names & synonyms
Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-12,13-dimethoxy-7-ethyl-54971-42-512,13-Dimethoxy-7-ethyl-5,9,10-14b-tetrahydroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-oneRefChem:349848DTXSID909703247-Ethyl-12,13-dimethoxy-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-ol
Database identifiers
- CAS
54971-42-5- PubChem CID
- 41268
- DTXSID
DTXSID90970324- Nikkaji
- J68.834G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 513
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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