Basic information
- CAS
67196-58-1- Standard SMILES
CN1CCN(CCCC2(C#N)c3ccccc3CCc3ccccc32)CC1- InChIKey
DBNOOSQRIXPXLQ-UHFFFAOYSA-N- Molecular formula
- C24H29N3
- Average molar mass
- 359.5 g/mol
- Monoisotopic mass
- 359.23614794
Names & identifiers
- Preferred name
- 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-cyano-5-(3-(1-methyl-4-piperazinyl)propyl)-
- IUPAC
- 2-[3-(4-methylpiperazin-1-yl)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbonitrile
- English name
- 10,11-Dihydro-5-cyano-5-[3-(1-methyl-4-piperazinyl)propyl]-5H-dibenzo[a,d]cycloheptene
- Molecular weight
- 0
Names & synonyms
BRN 070948067196-58-15H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-cyano-5-(3-(1-methyl-4-piperazinyl)propyl)-DTXSID802174725-23-02-00370 (Beilstein Handbook Reference)3-Cyano-10,11-dihydro-3-(3-(1-methyl-4-piperazinyl)propyl)-5H-dibenzo(a,d)cyclohepteneRefChem:305565DTXCID801399635-[3-(4-methylpiperazin-1-yl)propyl]-10,11-dihydro-5H-dibenzo[a,d][7]annulene-5-carbonitrile10,11-Dihydro-5-cyano-5-[3-(1-methyl-4-piperazinyl)propyl]-5H-dibenzo[a,d]cycloheptene
Database identifiers
- CAS
67196-58-1- PubChem CID
- 49552
- DTXSID
DTXSID80217472- Nikkaji
- J72.814D
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 503
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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