ethyl 3-cyclohexylcarbonyl-9-fluoranyl-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate

Systemtic Name: ethyl 3-cyclohexylcarbonyl-9-fluoranyl-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 3-(cyclohexanecarbonyl)-9-fluoro-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 3-[cyclohexyl(oxo)methyl]-9-fluoro-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(cyclohexanecarbonyl)-9-fluoro-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 3-(cyclohexanecarbonyl)-9-fluoro-1,1-dimethyl-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C24H29FN2O3 MolecularWeight: 412.497063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=C(C=C3)F)(C)C)C(=O)C4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=C(C=C3)F)(C)C)C(=O)C4CCCCC4

InChI

InChI=1S/C24H29FN2O3/c1-4-30-23(29)18-13-27(22(28)15-8-6-5-7-9-15)14-24(2,3)20-17-12-16(25)10-11-19(17)26-21(18)20/h10-13,15,26H,4-9,14H2,1-3H3