Basic information
- Standard SMILES
Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1OCCCC1CCNCC1.Cl- InChIKey
MXRXIGQCEXAUAJ-UHFFFAOYSA-N- Molecular formula
- C27H34ClN5O2
- Average molar mass
- 496 g/mol
- Monoisotopic mass
- 495.240103
Names & identifiers
- Preferred name
- (3-Methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulen-9-yl)-[3-methyl-4-(3-piperidin-4-yl-propoxy)-phenyl]-methanone Hydrochloride
- IUPAC
- (1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-[3-methyl-4-(3-piperidin-4-ylpropoxy)phenyl]methanone;hydrochloride
Names & synonyms
SCHEMBL2129874MXRXIGQCEXAUAJ-UHFFFAOYSA-N(3-Methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulen-9-yl)-[3-methyl-4-(3-piperidin-4-yl-propoxy)-phenyl]-methanone Hydrochloride
Database identifiers
- PubChem CID
- 136346641
Properties
Computed structural properties
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 671
Related reactions
2 records
Compound notes
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