1-(4-bromanyl-3-methyl-phenyl)-N-[[4-fluoranyl-3-(imidazol-1-ylmethyl)phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-N-[[4-fluoranyl-3-(imidazol-1-ylmethyl)phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-(4-bromo-3-methyl-phenyl)-N-[[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]methyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(4-bromo-3-methylphenyl)-N-[[4-fluoro-3-(1-imidazolylmethyl)phenyl]methyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-bromo-3-methylphenyl)-N-[[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-(4-bromo-3-methyl-phenyl)-N-[4-fluoro-3-(imidazol-1-ylmethyl)benzyl]-5-keto-pyrrolidine-3-carboxamide Formula: C23H22BrFN4O2 MolecularWeight: 485.348783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC(CC2=O)C(=O)NCC3=CC(=C(C=C3)F)CN4C=CN=C4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC(CC2=O)C(=O)NCC3=CC(=C(C=C3)F)CN4C=CN=C4)Br

InChI

InChI=1S/C23H22BrFN4O2/c1-15-8-19(3-4-20(15)24)29-13-18(10-22(29)30)23(31)27-11-16-2-5-21(25)17(9-16)12-28-7-6-26-14-28/h2-9,14,18H,10-13H2,1H3,(H,27,31)