Basic information
- CAS
65647-13-4- Standard SMILES
CC(CN(C)C)N1CCN(c2ccccc2)c2ccccc2C1=O- InChIKey
WXTJBKDLQKUHJN-UHFFFAOYSA-N- Molecular formula
- C20H25N3O
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.19976243
Names & identifiers
- Preferred name
- 5H-1,4-Benzodiazepin-5-one, 1,2,3,4-tetrahydro-4-(2-(dimethylamino)-1-methylethyl)-1-phenyl-
- IUPAC
- 4-[1-(dimethylamino)propan-2-yl]-1-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one
Names & synonyms
5H-1,4-Benzodiazepin-5-one, 1,2,3,4-tetrahydro-4-(2-(dimethylamino)-1-methylethyl)-1-phenyl-65647-13-4BRN 08289631-(3-Dimethylaminoprop-2-yl)-1-phenyl-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-oneCHEMBL3276815DTXSID409841984-[1-(Dimethylamino)propan-2-yl]-1-phenyl-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one
Database identifiers
- CAS
65647-13-4- PubChem CID
- 47692
- DTXSID
DTXSID40984198- ChEMBL
CHEMBL3276815- Nikkaji
- J342.181C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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