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

Systemtic Name: ethyl 3-(4-fluorophenyl)carbonyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 3-(4-fluorobenzoyl)-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate CAS Name: 3-[(4-fluorophenyl)-oxomethyl]-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-fluorobenzoyl)-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate Traditional Name: 3-(4-fluorobenzoyl)-2,6-dihydro-1H-azepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C22H19FN2O3 MolecularWeight: 378.396263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(CCC2=C1NC3=CC=CC=C23)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=CN(CCC2=C1NC3=CC=CC=C23)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H19FN2O3/c1-2-28-22(27)18-13-25(21(26)14-7-9-15(23)10-8-14)12-11-17-16-5-3-4-6-19(16)24-20(17)18/h3-10,13,24H,2,11-12H2,1H3