Basic information
- CAS
17656-71-2- Standard SMILES
CN1C(=O)CN2CC(C)(C)c3ccccc3C2c2ccccc21- InChIKey
ZPXJMHQDJQARQT-UHFFFAOYSA-N- Molecular formula
- C20H22N2O
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.17321333
Names & identifiers
- Preferred name
- Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-5,10,10-trimethyl-
- IUPAC
- 5,10,10-trimethyl-9,14b-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one
- English name
- 5,9,10,14b-Tetrahydro-5,10,10-trimethylisoquino[2,1-d][1,4]benzodiazepin-6(7H)-one
- Molecular formula
- C20H22N2O
- Molecular weight
- 306.4
Names & synonyms
17656-71-26,7,9,10-Tetrahydro-5,10,10-trimethyl-5H-isoquino(2,1-d)(1,4)benzodiazepin-6-oneIsoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-5,10,10-trimethyl-RefChem:3498595,10,10-trimethyl-9,14b-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one5,9,10,14b-Tetrahydro-5,10,10-trimethylisoquino[2,1-d][1,4]benzodiazepin-6(7H)-oneDTXSID409388135,10,10-Trimethyl-5,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6(7H)-oneIsoquino[2,1-d][1,4]benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-5,10,10-trimethyl-
Database identifiers
- CAS
17656-71-2- PubChem CID
- 28677
- DTXSID
DTXSID40938813- Nikkaji
- J41.118C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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