2-(4-bromanylpyrazol-1-yl)-1-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]butan-1-one

Systemtic Name: 2-(4-bromanylpyrazol-1-yl)-1-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]butan-1-one Openeye Name: 2-(4-bromopyrazol-1-yl)-1-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]butan-1-one CAS Name: 2-(4-bromo-1-pyrazolyl)-1-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-1-butanone IUPAC Name: 2-(4-bromopyrazol-1-yl)-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]butan-1-one Traditional Name: 2-(4-bromopyrazol-1-yl)-1-[4-(2-chloro-6-fluoro-benzyl)piperazino]butan-1-one Formula: C18H21BrClFN4O MolecularWeight: 443.740943

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)CC2=C(C=CC=C2Cl)F)N3C=C(C=N3)Br

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)CC2=C(C=CC=C2Cl)F)N3C=C(C=N3)Br

InChI

InChI=1S/C18H21BrClFN4O/c1-2-17(25-11-13(19)10-22-25)18(26)24-8-6-23(7-9-24)12-14-15(20)4-3-5-16(14)21/h3-5,10-11,17H,2,6-9,12H2,1H3