Basic information
- CAS
5346-93-0- Standard SMILES
Cc1ccc(C(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-]- InChIKey
KNKJBNAMDFEVAR-UHFFFAOYSA-N- Molecular formula
- C17H16N2O3
- Average molar mass
- 296.32 g/mol
- Monoisotopic mass
- 296.11609238
Names & identifiers
- Preferred name
- 3,4-dihydroisoquinolin-2(1H)-yl(4-methyl-3-nitrophenyl)methanone
- IUPAC
- 3,4-dihydro-1H-isoquinolin-2-yl-(4-methyl-3-nitrophenyl)methanone
Names & synonyms
5346-93-0(3,4-Dihydroisoquinolin-2(1H)-yl)(4-methyl-3-nitrophenyl)methanoneCambridge id 5346930Oprea1_231278Oprea1_683291DTXSID509681613,4-dihydro-1H-isoquinolin-2-yl-(4-methyl-3-nitrophenyl)methanone3,4-dihydroisoquinolin-2(1H)-yl(4-methyl-3-nitrophenyl)methanoneSTK006958AKOS000671040ST50688758AB00081862-01
Show more names
AK-968/11188879SR-01000406923SR-01000406923-12-{3-nitro-4-methylbenzoyl}-1,2,3,4-tetrahydroisoquinoline4-methyl-3-nitrophenyl 2-1,2,3,4-tetrahydroisoquinolyl ketone2-(4-METHYL-3-NITROBENZOYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
Database identifiers
- CAS
5346-93-0- PubChem CID
- 770804
- DTXSID
DTXSID50968161
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 434
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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