Basic information
- Standard SMILES
Cl.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)CCNCC2- InChIKey
PZSOXLGOAHJBIY-UHFFFAOYSA-N- Molecular formula
- C24H25ClN4O2
- Average molar mass
- 436.9 g/mol
Names & identifiers
- Preferred name
- 4-(Benzyloxy)-1-(10-methyl-5,6,7,8,9,10-hexahydropyrido[3',2':4,5]pyrrolo[2,3-d]azepin-2-yl)pyridin-2(1H)-one hydrochloride
- IUPAC
- 1-(8-methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one;hydrochloride
Names & synonyms
SCHEMBL1004533PZSOXLGOAHJBIY-UHFFFAOYSA-N4-(Benzyloxy)-1-(10-methyl-5,6,7,8,9,10-hexahydropyrido[3',2':4,5]pyrrolo[2,3-d]azepin-2-yl)pyridin-2(1H)-one hydrochloride
Database identifiers
- PubChem CID
- 66873644
Properties
Computed structural properties
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 687
Related reactions
1 records
Compound notes
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