Basic information
- Standard SMILES
Cl.Cl.Cl.NC1(c2ccc(-c3c(-c4cccc([N+](=O)[O-])c4)nc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1- InChIKey
LVDPHFOHRQACAX-UHFFFAOYSA-N- Molecular formula
- C30H27Cl3N6O2
- Average molar mass
- 609.9 g/mol
- Monoisotopic mass
- 608.126107
Names & identifiers
- Preferred name
- 1-{4-[2-(3-Nitrophenyl)-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl]phenyl}cyclobutanamine trihydrochloride
- IUPAC
- 1-[4-[4-(3-nitrophenyl)-2,5,13,15-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl]phenyl]cyclobutan-1-amine;trihydrochloride
Names & synonyms
SCHEMBL2700556LVDPHFOHRQACAX-UHFFFAOYSA-N1-{4-[2-(3-Nitrophenyl)-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl]phenyl}cyclobutanamine trihydrochloride
Database identifiers
- PubChem CID
- 67504181
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 854
Related reactions
1 records
Compound notes
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