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

Systemtic Name: 2-(4-bromanylpyrazol-1-yl)-1-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]butan-1-one Openeye Name: 2-(4-bromopyrazol-1-yl)-1-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]butan-1-one CAS Name: 2-(4-bromo-1-pyrazolyl)-1-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-1-butanone IUPAC Name: 2-(4-bromopyrazol-1-yl)-1-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]butan-1-one Traditional Name: 2-(4-bromopyrazol-1-yl)-1-[4-(2-chloro-4-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=C(C=C2)F)Cl)N3C=C(C=N3)Br

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)CC2=C(C=C(C=C2)F)Cl)N3C=C(C=N3)Br

InChI

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