Ethyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate

Catalog Number

ACM629662233

Product Name

Ethyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate

Structure

CAS

629662-23-3

Category

Heterocyclic Organic Compound

Synonyms

629662-23-3, Azepino[4,5-b]indole-5-carboxylic acid, 3-(3,4-difluorobenzoyl)-1,2,3,6-tetrahydro-1,1-dimethyl-, ethyl ester, (E)-ethyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate, SureCN273529, Azepino[4,5-b]indole, 6i, CHEMBL510862, CTK8D4136, ACT06537, AKOS005146462, EX-8551, A15717, I14-10389

IUPAC Name

ethyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate

Molecular Weight

424.439886 [g/mol]

Molecular Formula

C₂₄H₂₂F₂N₂O₃

Canonical SMILES

CCOC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)C4=CC(=C(C=C4)F)F

InChI Key

NVFAURZVYMEWBH-UHFFFAOYSA-N

Boiling Point

615.182ºC at 760 mmHg

Flash Point

325.851ºC

Density

1.299g/cm³

Exact Mass

424.16000

H-Bond Acceptor

5

H-Bond Donor

1

MSDS

COA

Spec Sheet