N-[[3,4-bis(bromanyl)phenyl]methyl]-1-(4-fluoranyl-2-methyl-phenyl)-N-methyl-piperazine-2-carboxamide

Systemtic Name: N-[[3,4-bis(bromanyl)phenyl]methyl]-1-(4-fluoranyl-2-methyl-phenyl)-N-methyl-piperazine-2-carboxamide Openeye Name: N-[(3,4-dibromophenyl)methyl]-1-(4-fluoro-2-methyl-phenyl)-N-methyl-piperazine-2-carboxamide CAS Name: N-[(3,4-dibromophenyl)methyl]-1-(4-fluoro-2-methylphenyl)-N-methyl-2-piperazinecarboxamide IUPAC Name: N-[(3,4-dibromophenyl)methyl]-1-(4-fluoro-2-methylphenyl)-N-methylpiperazine-2-carboxamide Traditional Name: N-(3,4-dibromobenzyl)-1-(4-fluoro-2-methyl-phenyl)-N-methyl-piperazine-2-carboxamide Formula: C20H22Br2FN3O MolecularWeight: 499.214583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)N2CCNCC2C(=O)N(C)CC3=CC(=C(C=C3)Br)Br

Isomeric SMILES

CC1=C(C=CC(=C1)F)N2CCNCC2C(=O)N(C)CC3=CC(=C(C=C3)Br)Br

InChI

InChI=1S/C20H22Br2FN3O/c1-13-9-15(23)4-6-18(13)26-8-7-24-11-19(26)20(27)25(2)12-14-3-5-16(21)17(22)10-14/h3-6,9-10,19,24H,7-8,11-12H2,1-2H3