tert-butyl 2-azanyl-4-[3-[[4,5-bis(bromanyl)-1-phenethyl-pyrrol-2-yl]carbonylamino]propyl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 2-azanyl-4-[3-[[4,5-bis(bromanyl)-1-phenethyl-pyrrol-2-yl]carbonylamino]propyl]imidazole-1-carboxylate Openeye Name: tert-butyl 2-amino-4-[3-[(4,5-dibromo-1-phenethyl-pyrrole-2-carbonyl)amino]propyl]imidazole-1-carboxylate CAS Name: 2-amino-4-[3-[[(4,5-dibromo-1-phenethyl-2-pyrrolyl)-oxomethyl]amino]propyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-4-[3-[(4,5-dibromo-1-phenethylpyrrole-2-carbonyl)amino]propyl]imidazole-1-carboxylate Traditional Name: 2-amino-4-[3-[(4,5-dibromo-1-phenethyl-pyrrole-2-carbonyl)amino]propyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C24H29Br2N5O3 MolecularWeight: 595.32676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(N=C1N)CCCNC(=O)C2=CC(=C(N2CCC3=CC=CC=C3)Br)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(N=C1N)CCCNC(=O)C2=CC(=C(N2CCC3=CC=CC=C3)Br)Br

InChI

InChI=1S/C24H29Br2N5O3/c1-24(2,3)34-23(33)31-15-17(29-22(31)27)10-7-12-28-21(32)19-14-18(25)20(26)30(19)13-11-16-8-5-4-6-9-16/h4-6,8-9,14-15H,7,10-13H2,1-3H3,(H2,27,29)(H,28,32)