Basic information
- CAS
65647-11-2- Standard SMILES
CN(C)CCN1CCN(c2ccccc2)c2ccccc2C1=O- InChIKey
NVEYRGKNUKKVBD-UHFFFAOYSA-N- Molecular formula
- C19H23N3O
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.18411237
Names & identifiers
- Preferred name
- 5H-1,4-Benzodiazepin-5-one, 1,2,3,4-tetrahydro-4-(2-dimethylaminoethyl)-1-phenyl-
- IUPAC
- 4-[2-(dimethylamino)ethyl]-1-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one
- English name
- 1,2,3,4-Tetrahydro-4-(2-dimethylaminoethyl)-1-phenyl-5H-1,4-benzodiazepin-5-one
- Molecular formula
- C19H23N3O
- Molecular weight
- 309.41
Names & synonyms
65647-11-25H-1,4-Benzodiazepin-5-one, 1,2,3,4-tetrahydro-4-(2-dimethylaminoethyl)-1-phenyl-BRN 08233534-(2-Dimethylaminoethyl)-1-phenyl-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-oneCHEMBL3276813DTXSID102158804-[2-(Dimethylamino)ethyl]-1-phenyl-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one1,2,3,4-Tetrahydro-4-(2-dimethylaminoethyl)-1-phenyl-5H-1,4-benzodiazepin-5-one5H-1,4-Benzodiazepin-5-one, 4-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydro-1-phenyl-
Database identifiers
- CAS
65647-11-2- PubChem CID
- 47690
- DTXSID
DTXSID10215880- ChEMBL
CHEMBL3276813- Nikkaji
- J69.330H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…