Basic information
- Standard SMILES
CCCC(=O)Nc1cc(/C=C/C(=O)N2CC(CCl)c3c2cc([N+](=O)[O-])c2ccccc32)n(C)c1- InChIKey
NUCVRSVMWQIEPX-MDZDMXLPSA-N- Molecular formula
- C25H25ClN4O4
- Average molar mass
- 480.9 g/mol
- Monoisotopic mass
- 480.156433
Names & identifiers
- Preferred name
- N-[5-[(E)-3-[1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indol-3-yl]-3-oxo-prop-1-enyl]-1-methyl-pyrrol-3-yl]butanamide
- IUPAC
- N-[5-[(E)-3-[1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indol-3-yl]-3-oxoprop-1-enyl]-1-methylpyrrol-3-yl]butanamide
Names & synonyms
NSC691243SCHEMBL8105856CHEMBL1979614NUCVRSVMWQIEPX-MDZDMXLPSA-NNSC-6912433-[(E)-4-(butyrylamino)-1-methyl-2-pyrroleacryloyl]-1-(chloromethyl)-5-nitro-1,2-dihydro-3H-benz[e]indoleButanamide, N-[5-[(1E)-3-[1-(chloromethyl)-1,2-dihydro-5-nitro-3H-benz[e]indol-3-yl]-3-oxo-1-propenyl]-1-methyl-1H-pyrrol-3-yl]-N-[5-[(E)-3-[1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indol-3-yl]-3-oxo-prop-1-enyl]-1-methyl-pyrrol-3-yl]butanamide
Database identifiers
- PubChem CID
- 5469644
- ChEMBL
CHEMBL1979614
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 802
Related reactions
1 records
Compound notes
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