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

Systemtic Name: ethyl 1-ethyl-3-(4-fluorophenyl)carbonyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 1-ethyl-3-(4-fluorobenzoyl)-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate CAS Name: 1-ethyl-3-[(4-fluorophenyl)-oxomethyl]-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-(4-fluorobenzoyl)-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate Traditional Name: 1-ethyl-3-(4-fluorobenzoyl)-2,6-dihydro-1H-azepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C24H23FN2O3 MolecularWeight: 406.449423

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C=C(C2=C1C3=CC=CC=C3N2)C(=O)OCC)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1CN(C=C(C2=C1C3=CC=CC=C3N2)C(=O)OCC)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H23FN2O3/c1-3-15-13-27(23(28)16-9-11-17(25)12-10-16)14-19(24(29)30-4-2)22-21(15)18-7-5-6-8-20(18)26-22/h5-12,14-15,26H,3-4,13H2,1-2H3