Basic information
- Standard SMILES
CCOC(=O)CN1CC(=O)Nc2ncc(/C=C/C(=O)N(C)Cc3cc4ccccc4n3C)cc2C1.Cl- InChIKey
WVRUIGPCRSMDMR-RRABGKBLSA-N- Molecular formula
- C26H30ClN5O4
- Average molar mass
- 512 g/mol
Names & identifiers
- Preferred name
- (E)-(7-{2-[Methyl-(1-methyl-1H-indol-2-ylmethyl)carbamoyl]vinyl}-2-oxo-1,2,3,5-tetrahydro-pyrido[2,3-e][1,4]diazepin-4-yl)acetic acid ethyl ester hydrochloride
- IUPAC
- ethyl 2-[7-[(E)-3-[methyl-[(1-methylindol-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-4-yl]acetate;hydrochloride
Names & synonyms
SCHEMBL1254060WVRUIGPCRSMDMR-RRABGKBLSA-N(E)-(7-{2-[Methyl-(1-methyl-1H-indol-2-ylmethyl)carbamoyl]vinyl}-2-oxo-1,2,3,5-tetrahydro-pyrido[2,3-e][1,4]diazepin-4-yl)acetic acid ethyl ester hydrochloride
Database identifiers
- PubChem CID
- 66967368
Properties
Computed structural properties
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 805
Related reactions
2 records
Compound notes
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