tert-butyl 9,10-bis(chloranyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-3-carboxylate

Systemtic Name: tert-butyl 9,10-bis(chloranyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-3-carboxylate Openeye Name: tert-butyl 9,10-dichloro-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-3-carboxylate CAS Name: 9,10-dichloro-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 9,10-dichloro-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-3-carboxylate Traditional Name: 9,10-dichloro-2,4,5,6-tetrahydro-1H-azepin[4,5-b]indole-3-carboxylic acid tert-butyl ester Formula: C17H20Cl2N2O2 MolecularWeight: 355.2589

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(CC1)NC3=C2C(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(CC1)NC3=C2C(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H20Cl2N2O2/c1-17(2,3)23-16(22)21-8-6-10-12(7-9-21)20-13-5-4-11(18)15(19)14(10)13/h4-5,20H,6-9H2,1-3H3