tert-butyl 8,9-bis(chloranyl)-6-[2-(4-fluoranylphenoxy)ethyl]-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate

Systemtic Name: tert-butyl 8,9-bis(chloranyl)-6-[2-(4-fluoranylphenoxy)ethyl]-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate Openeye Name: tert-butyl 8,9-dichloro-6-[2-(4-fluorophenoxy)ethyl]-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate CAS Name: 8,9-dichloro-6-[2-(4-fluorophenoxy)ethyl]-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8,9-dichloro-6-[2-(4-fluorophenoxy)ethyl]-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate Traditional Name: 8,9-dichloro-6-[2-(4-fluorophenoxy)ethyl]-1,2,4,5-tetrahydroazepin[4,5-b]indole-3-carboxylic acid tert-butyl ester Formula: C25H27Cl2FN2O3 MolecularWeight: 493.397883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(CC1)N(C3=CC(=C(C=C23)Cl)Cl)CCOC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(CC1)N(C3=CC(=C(C=C23)Cl)Cl)CCOC4=CC=C(C=C4)F

InChI

InChI=1S/C25H27Cl2FN2O3/c1-25(2,3)33-24(31)29-10-8-18-19-14-20(26)21(27)15-23(19)30(22(18)9-11-29)12-13-32-17-6-4-16(28)5-7-17/h4-7,14-15H,8-13H2,1-3H3