ethyl 8-bromanyl-3-(4-fluorophenyl)carbonyl-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate

Systemtic Name: ethyl 8-bromanyl-3-(4-fluorophenyl)carbonyl-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 8-bromo-3-(4-fluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 8-bromo-3-[(4-fluorophenyl)-oxomethyl]-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 8-bromo-3-(4-fluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 8-bromo-3-(4-fluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C24H22BrFN2O3 MolecularWeight: 485.345483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=CC(=C3)Br)(C)C)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=CC(=C3)Br)(C)C)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H22BrFN2O3/c1-4-31-23(30)18-12-28(22(29)14-5-8-16(26)9-6-14)13-24(2,3)20-17-10-7-15(25)11-19(17)27-21(18)20/h5-12,27H,4,13H2,1-3H3