Basic information
- Standard SMILES
Cc1cc(C(=O)N2CCCNc3ccccc32)ccc1C#N- InChIKey
GIWDAFDWSSBPPR-UHFFFAOYSA-N- Molecular formula
- C18H17N3O
- Average molar mass
- 291.3 g/mol
Names & identifiers
- Preferred name
- 1-(4-Cyano-3-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
- IUPAC
- 2-methyl-4-(1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carbonyl)benzonitrile
Names & synonyms
SCHEMBL5235559GIWDAFDWSSBPPR-UHFFFAOYSA-N1-(4-Cyano-3-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
Database identifiers
- PubChem CID
- 21083241
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 454
Related reactions
2 records
Compound notes
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