Basic information
- Standard SMILES
Cc1ccc(CNc2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCOC3)c(C)c1- InChIKey
CZDKGGNBGCPNGX-VXKWHMMOSA-N- Molecular formula
- C23H29N3O
- Average molar mass
- 363.5 g/mol
Names & identifiers
- Preferred name
- (7Br,11as)-n-(2,4-dimethylbenzyl)-1,2,7b,8,9,10,11,11a-octahydro-4h-[1,4]oxazepino[6,5,4-hi]pyrido[4,3 b]indol-6-amine
- IUPAC
- (11S,16R)-N-[(2,4-dimethylphenyl)methyl]-7-oxa-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-trien-3-amine
Names & synonyms
SCHEMBL6494922CZDKGGNBGCPNGX-VXKWHMMOSA-N(7br,11as)-n-(2,4-dimethylbenzyl)-1,2,7b,8,9,10,11,11a-octahydro-4h-[1,4]oxazepino[6,5,4-hi]pyrido[4,3 b]indol-6-amine(7bR,11aS)-N-(2,4-dimethylbenzyl)-1,2,7b,8,9,10,11,11a-octahydro-4H-[1,4]oxazepino[6,5,4-hi]pyrido[4,3-b]indol-6-amine
Database identifiers
- PubChem CID
- 20627675
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 36.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 514
Related reactions
2 records
Compound notes
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