Basic information
- CAS
102395-74-4- Standard SMILES
COc1cc2c(cc1OC)C([N+](=O)[O-])CN1CC(=O)Nc3ccccc3C21- InChIKey
SBINZOJZCCZFNB-UHFFFAOYSA-N- Molecular formula
- C19H19N3O5
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.13247072
Names & identifiers
- Preferred name
- Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-12,13-dimethoxy-10-nitro
- IUPAC
- 12,13-dimethoxy-10-nitro-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one
Names & synonyms
12,13-Dimethoxy-10-nitro-7,9,10,14b-tetrahydro-5H-isoquino(2,1-d)(1,4)benzodiazepin-6-oneIsoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-12,13-dimethoxy-10-nitro102395-74-4RefChem:349847DTXSID1090747012,13-Dimethoxy-10-nitro-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-ol
Database identifiers
- CAS
102395-74-4- PubChem CID
- 59339
- DTXSID
DTXSID10907470- Nikkaji
- J68.837A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 582
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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