1-tert-butyl-10-(2,4-dichlorophenyl)-2,4,5,5a,6,10b-hexahydro-1H-azepino[4,5-b]indole-3-carboxylate

Systemtic Name: 1-tert-butyl-10-(2,4-dichlorophenyl)-2,4,5,5a,6,10b-hexahydro-1H-azepino[4,5-b]indole-3-carboxylate Openeye Name: 1-tert-butyl-10-(2,4-dichlorophenyl)-2,4,5,5a,6,10b-hexahydro-1H-azepino[4,5-b]indole-3-carboxylate CAS Name: 1-tert-butyl-10-(2,4-dichlorophenyl)-2,4,5,5a,6,10b-hexahydro-1H-azepino[4,5-b]indole-3-carboxylate IUPAC Name: 1-tert-butyl-10-(2,4-dichlorophenyl)-2,4,5,5a,6,10b-hexahydro-1H-azepino[4,5-b]indole-3-carboxylate Traditional Name: 1-tert-butyl-10-(2,4-dichlorophenyl)-2,4,5,5a,6,10b-hexahydro-1H-azepin[4,5-b]indole-3-carboxylate Formula: C23H25Cl2N2O2- MolecularWeight: 432.3628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CN(CCC2C1C3=C(C=CC=C3N2)C4=C(C=C(C=C4)Cl)Cl)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1CN(CCC2C1C3=C(C=CC=C3N2)C4=C(C=C(C=C4)Cl)Cl)C(=O)[O-]

InChI

InChI=1S/C23H26Cl2N2O2/c1-23(2,3)16-12-27(22(28)29)10-9-19-21(16)20-15(5-4-6-18(20)26-19)14-8-7-13(24)11-17(14)25/h4-8,11,16,19,21,26H,9-10,12H2,1-3H3,(H,28,29)/p-1