ethyl 8-bromanyl-3-(4-fluorophenyl)carbonyl-1-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate

Systemtic Name: ethyl 8-bromanyl-3-(4-fluorophenyl)carbonyl-1-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 8-bromo-3-(4-fluorobenzoyl)-1-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate CAS Name: 8-bromo-3-[(4-fluorophenyl)-oxomethyl]-1-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 8-bromo-3-(4-fluorobenzoyl)-1-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate Traditional Name: 8-bromo-3-(4-fluorobenzoyl)-1-methyl-2,6-dihydro-1H-azepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C23H20BrFN2O3 MolecularWeight: 471.318903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrFN2O3/c1-3-30-23(29)18-12-27(22(28)14-4-7-16(25)8-5-14)11-13(2)20-17-9-6-15(24)10-19(17)26-21(18)20/h4-10,12-13,26H,3,11H2,1-2H3