Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-12,13-dimethoxy-
Basic information
- CAS
41334-70-7- Standard SMILES
COc1cc2c(cc1OC)C1c3ccccc3NC(=O)CN1CC2- InChIKey
LZRKPTHNNRMZMS-UHFFFAOYSA-N- Molecular formula
- C19H20N2O3
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.1473925
Names & identifiers
- Preferred name
- Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-12,13-dimethoxy-
- IUPAC
- 12,13-dimethoxy-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one
Names & synonyms
BRN 070625712,13-Dimethoxy-5,9,10,14b-tetrahydroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one41334-70-7Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-12,13-dimethoxy-RefChem:34984612,13-dimethoxy-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-oneMaybridge2_000670DTXSID00961627HMS1304O10CCG-46867NS00018657SR-01000636538-1
Show more names
12,13-Dimethoxy-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-ol
Database identifiers
- CAS
41334-70-7- PubChem CID
- 38842
- DTXSID
DTXSID00961627- Nikkaji
- J68.833I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
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Compound notes
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