4-[1-[2,4-bis(fluoranyl)phenyl]-5-(4-methoxyphenyl)-2-methyl-pyrrol-3-yl]carbonyl-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide

Systemtic Name: 4-[1-[2,4-bis(fluoranyl)phenyl]-5-(4-methoxyphenyl)-2-methyl-pyrrol-3-yl]carbonyl-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide Openeye Name: 4-[1-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-2-methyl-pyrrole-3-carbonyl]-N-(2,6-diisopropylphenyl)piperazine-1-carboxamide CAS Name: 4-[[1-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-2-methyl-3-pyrrolyl]-oxomethyl]-N-[2,6-di(propan-2-yl)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-[1-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide Traditional Name: 4-[1-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-2-methyl-pyrrole-3-carbonyl]-N-(2,6-diisopropylphenyl)piperazine-1-carboxamide Formula: C36H40F2N4O3 MolecularWeight: 614.724606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C2=C(C=C(C=C2)F)F)C3=CC=C(C=C3)OC)C(=O)N4CCN(CC4)C(=O)NC5=C(C=CC=C5C(C)C)C(C)C

Isomeric SMILES

CC1=C(C=C(N1C2=C(C=C(C=C2)F)F)C3=CC=C(C=C3)OC)C(=O)N4CCN(CC4)C(=O)NC5=C(C=CC=C5C(C)C)C(C)C

InChI

InChI=1S/C36H40F2N4O3/c1-22(2)28-8-7-9-29(23(3)4)34(28)39-36(44)41-18-16-40(17-19-41)35(43)30-21-33(25-10-13-27(45-6)14-11-25)42(24(30)5)32-15-12-26(37)20-31(32)38/h7-15,20-23H,16-19H2,1-6H3,(H,39,44)