Basic information
- Standard SMILES
COc1cc(CC2(C#N)c3cc(Cl)c(Cl)cc3C=CN2C(=O)c2ccccc2)cc(OC)c1OC- InChIKey
RBVVBJYOEVSATR-UHFFFAOYSA-N- Molecular formula
- C27H22Cl2N2O4
- Average molar mass
- 509.4 g/mol
Names & identifiers
- Preferred name
- 2-Benzoyl-1-(3,4,5-trimethoxybenzyl)-6,7-dichloro-1-cyano-1,2-dihydroisoquinoline
- IUPAC
- 2-benzoyl-6,7-dichloro-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline-1-carbonitrile
Names & synonyms
SCHEMBL10677766RBVVBJYOEVSATR-UHFFFAOYSA-N2-benzoyl-1-(3,4,5-trimethoxybenzyl)-6,7-dichloro-1-cyano-1, 2-dihydroisoquinoline2-benzoyl-1-(3,4,5-trimethoxybenzyl)-6,7-dichloro-1-cyano-1,2-dihydroisoquinoline
Database identifiers
- PubChem CID
- 13679507
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 811
Related reactions
5 records
Compound notes
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