Basic information
- CAS
59001-98-8- Standard SMILES
COc1c2c(c3c(c1OC)CCN(CC(c1ccccc1)c1ccccc1)C3)CCC2- InChIKey
ZMGIOYIMUHRSNR-UHFFFAOYSA-N- Molecular formula
- C28H31NO2
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.23547923
Names & identifiers
- Preferred name
- 1H-Cyclopent(h)isoquinoline, 2,3,4,7,8,9-hexahydro-5,6-dimethoxy-2-(2,2-diphenylethyl)-
- IUPAC
- 2-(2,2-diphenylethyl)-5,6-dimethoxy-1,3,4,7,8,9-hexahydrocyclopenta[h]isoquinoline
Names & synonyms
BRN 15550881H-Cyclopent(h)isoquinoline, 2,3,4,7,8,9-hexahydro-5,6-dimethoxy-2-(2,2-diphenylethyl)-59001-98-8DTXSID502077492,3,4,7,8,9-Hexahydro-5,6-dimethoxy-2-(2,2-diphenylethyl)-1H-cyclopent(h)isoquinoline5,6-Dimethoxy-N-(2,2-diphenylethyl)cyclopentano(h)-1,2,3,4-tetrahydroisoquinolineNSC 302681RefChem:237727DTXCID501302402-(2,2-diphenylethyl)-5,6-dimethoxy-2,3,4,7,8,9-hexahydro-1h-cyclopenta[h]isoquinolineNSC302681CHEMBL3277828
Show more names
NSC-302681
Database identifiers
- CAS
59001-98-8- PubChem CID
- 100458
- DTXSID
DTXSID50207749- ChEMBL
CHEMBL3277828
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 537
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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