Basic information
- Standard SMILES
CN1CC(=O)Nc2ncc(/C=C/C(=O)N(C)Cc3ccc4[nH]ccc4c3)cc2C1- InChIKey
FNMDZKZNTWJCNB-GQCTYLIASA-N- Molecular formula
- C22H23N5O2
- Average molar mass
- 389.4 g/mol
Names & identifiers
- Preferred name
- (E)-N-(1H-indol-5-ylmethyl)-N-methyl-3-(4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)acrylamide
- IUPAC
- (E)-N-(1H-indol-5-ylmethyl)-N-methyl-3-(4-methyl-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
Names & synonyms
SCHEMBL1254312FNMDZKZNTWJCNB-GQCTYLIASA-N(E)-N-(1H-indol-5-ylmethyl)-N-methyl-3-(4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)acrylamide
Database identifiers
- PubChem CID
- 66967477
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 639
Related reactions
2 records
Compound notes
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