Basic information
- Standard SMILES
CCN1CCCN(C(=O)c2ccc(C#N)c(C)c2)c2ccccc21- InChIKey
ZCHUZLJPQSYVBU-UHFFFAOYSA-N- Molecular formula
- C20H21N3O
- Average molar mass
- 319.4 g/mol
Names & identifiers
- Preferred name
- 1-(4-Cyano-3-methylbenzoyl)-5-ethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
- IUPAC
- 4-(1-ethyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)-2-methylbenzonitrile
Names & synonyms
SCHEMBL5232249ZCHUZLJPQSYVBU-UHFFFAOYSA-N1-(4-Cyano-3-methylbenzoyl)-5-ethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
Database identifiers
- PubChem CID
- 21083244
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 496
Related reactions
2 records
Compound notes
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