Basic information
- Standard SMILES
COc1ccc(Nc2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCOC3)c(C(C)=O)c1- InChIKey
NXISEKGPCHPRFD-UNMCSNQZSA-N- Molecular formula
- C23H27N3O3
- Average molar mass
- 393.5 g/mol
Names & identifiers
- Preferred name
- 1-{2-[(7bR,11aS)-1,2,7b,8,9,10,11,11a-octahydro-4H-[1,4]oxazepino[6,5,4-hi]pyrido[4,3-b]indol-6-ylamino]-5-methoxyphenyl}ethanone
- IUPAC
- 1-[5-methoxy-2-[[(11S,16R)-7-oxa-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-trien-3-yl]amino]phenyl]ethanone
Names & synonyms
SCHEMBL6500547NXISEKGPCHPRFD-UNMCSNQZSA-N1-{2-[(7bR,11aS)-1,2,7b,8,9,10,11,11a-octahydro-4H-[1,4]oxazepino[6,5,4-hi]pyrido[4,3-b]indol-6-ylamino]-5-methoxyphenyl}ethanone
Database identifiers
- PubChem CID
- 60071832
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 602
Related reactions
2 records
Compound notes
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