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Basic information
- CAS
75230-92-1- Standard SMILES
COc1cc2c(cc1OC)C1c3ccccc3NC(=O)C(C(C)C)N1CC2- InChIKey
RQUGMXUOVVOPKX-UHFFFAOYSA-N- Molecular formula
- C22H26N2O3
- Average molar mass
- 366.5 g/mol
- Monoisotopic mass
- 366.1943427
Names & identifiers
- Preferred name
- Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-12,13-dimethoxy-7-isopropyl-
- IUPAC
- 12,13-dimethoxy-7-propan-2-yl-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one
- English name
- 5,9,10,14b-Tetrahydro-12,13-dimethoxy-7-isopropylisoquino[2,1-d][1,4]benzodiazepin-6(7H)-one
- Molecular weight
- 0
Names & synonyms
75230-92-112,13-Dimethoxy-7-isopropyl-5,9,10,14b-tetrahydroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-oneIsoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-12,13-dimethoxy-7-isopropyl-RefChem:349849DTXSID8099669912,13-Dimethoxy-7-(propan-2-yl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-ol5,9,10,14b-Tetrahydro-12,13-dimethoxy-7-isopropylisoquino[2,1-d][1,4]benzodiazepin-6(7H)-one
Database identifiers
- CAS
75230-92-1- PubChem CID
- 53200
- Nikkaji
- J68.835E
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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