Basic information
- Standard SMILES
CN1c2ccccc2N(Cc2ccccc2)C(=O)[C@H]2CCC[C@H]21- InChIKey
RXARCAQNKFZZBY-DLBZAZTESA-N- Molecular formula
- C20H22N2O
- Average molar mass
- 306.4 g/mol
Names & identifiers
- Preferred name
- (3aR*,10aS*)-9-Benzyl-4-methyl-2,3,3a,4,9,10a-hexahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one
- IUPAC
- (3aS,10aR)-5-benzyl-10-methyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b][1,5]benzodiazepin-4-one
Names & synonyms
SCHEMBL7496748RXARCAQNKFZZBY-DLBZAZTESA-N(3aR*,10aS*)-9-Benzyl-4-methyl-2,3,3a,4,9,10a-hexahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one
Database identifiers
- PubChem CID
- 70109997
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 431
Related reactions
1 records
Compound notes
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