Basic information
- Standard SMILES
Cc1nc2ccc3c(c2o1)OC(CN1CC=C(c2c[nH]c4ccccc24)CC1)CO3- InChIKey
FPLLRWLDMFHMPI-UHFFFAOYSA-N- Molecular formula
- C24H23N3O3
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.1739416
Names & identifiers
- Preferred name
- 8-[4-(1H-Indol-3-Yl)-3,6-Dihydro-2H-Pyridin-1-Ylmethyl]-2-Methyl-7,8-Dihydro-1,6,9-Trioxa-3-Aza-Cyclopenta[a]Naphthalene
- IUPAC
- 8-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazole
Names & synonyms
SCHEMBL6847481FPLLRWLDMFHMPI-UHFFFAOYSA-NL0219388-[4-(1H-Indol-3-Yl)-3,6-Dihydro-2H-Pyridin-1-Ylmethyl]-2-Methyl-7,8-Dihydro-1,6,9-Trioxa-3-Aza-Cyclopenta[a]Naphthalene8-[4-(1H-Indol-3-yl)-3.6-dihydro-2H-pyridin-1-ylmethyl]-2-methyl-7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene
Database identifiers
- PubChem CID
- 10201059
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 63.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 658
Related reactions
3 records
Compound notes
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