2-[4-[(4S,5R)-2-(4-bromanyl-2-ethoxy-phenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-imidazol-1-yl]carbonylpiperazin-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-[(4S,5R)-2-(4-bromanyl-2-ethoxy-phenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-imidazol-1-yl]carbonylpiperazin-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[(4S,5R)-2-(4-bromo-2-ethoxy-phenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-imidazole-1-carbonyl]piperazin-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[[(4S,5R)-2-(4-bromo-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1-imidazolyl]-oxomethyl]-1-piperazinyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[(4S,5R)-2-(4-bromo-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[(4S,5R)-2-(4-bromo-2-ethoxy-phenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-2-imidazoline-1-carbonyl]piperazino]-1-morpholino-ethanone Formula: C36H40BrCl2N5O4 MolecularWeight: 757.5439

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)Br)C2=NC(C(N2C(=O)N3CCN(CC3)CC(=O)N4CCOCC4)(C)C5=CC=C(C=C5)Cl)(C)C6=CC=C(C=C6)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)Br)C2=N[C@@]([C@@](N2C(=O)N3CCN(CC3)CC(=O)N4CCOCC4)(C)C5=CC=C(C=C5)Cl)(C)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C36H40BrCl2N5O4/c1-4-48-31-23-27(37)9-14-30(31)33-40-35(2,25-5-10-28(38)11-6-25)36(3,26-7-12-29(39)13-8-26)44(33)34(46)43-17-15-41(16-18-43)24-32(45)42-19-21-47-22-20-42/h5-14,23H,4,15-22,24H2,1-3H3/t35-,36+/m0/s1