Basic information
- Standard SMILES
CC(=O)N1CCc2cc(-c3ccc4c(c3)CC[C@H]3N(C)C(=O)CC[C@]43C)cc([N+](=O)[O-])c21- InChIKey
MWOJKTFVYNGJSZ-RCZVLFRGSA-N- Molecular formula
- C25H27N3O4
- Average molar mass
- 433.5 g/mol
Names & identifiers
- Preferred name
- (+)-(4aR)-(10bR)-4-methyl-8-(1-acetyl-7-nitroindolin-5-yl)-10b-methyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-3-one
- IUPAC
- (4aR,10bR)-8-(1-acetyl-7-nitro-2,3-dihydroindol-5-yl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
Names & synonyms
SCHEMBL7465693MWOJKTFVYNGJSZ-RCZVLFRGSA-N(+)-(4aR)-(10bR)-4-methyl-8-(1-acetyl-7-nitroindolin-5--yl)-10b-methyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-3one(+)-(4aR)-(10bR)-4-methyl-8-(1-acetyl-7-nitroindolin-5-yl )-10b-methyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-3-one(+)-(4aR)-(10bR)-4-methyl-8-(1-acetyl-7-nitroindolin-5-yl)-10b-methyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-3-one
Database identifiers
- PubChem CID
- 54095089
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 797
Related reactions
4 records
Compound notes
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