tert-butyl 3-[3,6-bis(bromanyl)carbazol-9-yl]-2-(2-oxidanylidenepropyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-[3,6-bis(bromanyl)carbazol-9-yl]-2-(2-oxidanylidenepropyl)piperazine-1-carboxylate Openeye Name: tert-butyl 2-acetonyl-3-(3,6-dibromocarbazol-9-yl)piperazine-1-carboxylate CAS Name: 3-(3,6-dibromo-9-carbazolyl)-2-(2-oxopropyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3,6-dibromocarbazol-9-yl)-2-(2-oxopropyl)piperazine-1-carboxylate Traditional Name: 2-acetonyl-3-(3,6-dibromocarbazol-9-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C24H27Br2N3O3 MolecularWeight: 565.29748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1C(NCCN1C(=O)OC(C)(C)C)N2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br

Isomeric SMILES

CC(=O)CC1C(NCCN1C(=O)OC(C)(C)C)N2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br

InChI

InChI=1S/C24H27Br2N3O3/c1-14(30)11-21-22(27-9-10-28(21)23(31)32-24(2,3)4)29-19-7-5-15(25)12-17(19)18-13-16(26)6-8-20(18)29/h5-8,12-13,21-22,27H,9-11H2,1-4H3