3-[8-Methoxy-7-(2-methoxy-phenyl)-2-oxo-1-phenethyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-5-yl]-benzonitrile
Basic information
- Standard SMILES
COc1ccccc1-c1cc2c(cc1OC)N(CCc1ccccc1)C(=O)CN=C2c1cccc(C#N)c1- InChIKey
NXYCEGZWBFDCAU-UHFFFAOYSA-N- Molecular formula
- C32H27N3O3
- Average molar mass
- 501.6 g/mol
Names & identifiers
- Preferred name
- 3-[8-Methoxy-7-(2-methoxy-phenyl)-2-oxo-1-phenethyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-5-yl]-benzonitrile
- IUPAC
- 3-[8-methoxy-7-(2-methoxyphenyl)-2-oxo-1-(2-phenylethyl)-3H-1,4-benzodiazepin-5-yl]benzonitrile
Names & synonyms
SCHEMBL5038967NXYCEGZWBFDCAU-UHFFFAOYSA-N3-[8-Methoxy-7-(2-methoxy-phenyl)-2-oxo-1-phenethyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-5-yl]-benzonitrile
Database identifiers
- PubChem CID
- 11272014
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 874
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Related reactions
2 records
Compound notes
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