N-tert-butyl-4-[5-(4-chlorophenyl)-1-(3-fluorophenyl)-2-methyl-pyrrol-3-yl]carbonyl-piperazine-1-carboxamide

Systemtic Name: N-tert-butyl-4-[5-(4-chlorophenyl)-1-(3-fluorophenyl)-2-methyl-pyrrol-3-yl]carbonyl-piperazine-1-carboxamide Openeye Name: N-tert-butyl-4-[5-(4-chlorophenyl)-1-(3-fluorophenyl)-2-methyl-pyrrole-3-carbonyl]piperazine-1-carboxamide CAS Name: N-tert-butyl-4-[[5-(4-chlorophenyl)-1-(3-fluorophenyl)-2-methyl-3-pyrrolyl]-oxomethyl]-1-piperazinecarboxamide IUPAC Name: N-tert-butyl-4-[5-(4-chlorophenyl)-1-(3-fluorophenyl)-2-methylpyrrole-3-carbonyl]piperazine-1-carboxamide Traditional Name: N-tert-butyl-4-[5-(4-chlorophenyl)-1-(3-fluorophenyl)-2-methyl-pyrrole-3-carbonyl]piperazine-1-carboxamide Formula: C27H30ClFN4O2 MolecularWeight: 497.004103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C2=CC(=CC=C2)F)C3=CC=C(C=C3)Cl)C(=O)N4CCN(CC4)C(=O)NC(C)(C)C

Isomeric SMILES

CC1=C(C=C(N1C2=CC(=CC=C2)F)C3=CC=C(C=C3)Cl)C(=O)N4CCN(CC4)C(=O)NC(C)(C)C

InChI

InChI=1S/C27H30ClFN4O2/c1-18-23(25(34)31-12-14-32(15-13-31)26(35)30-27(2,3)4)17-24(19-8-10-20(28)11-9-19)33(18)22-7-5-6-21(29)16-22/h5-11,16-17H,12-15H2,1-4H3,(H,30,35)