[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(4-bromanyl-5-methyl-1H-pyrazol-3-yl)methanone

Systemtic Name: [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(4-bromanyl-5-methyl-1H-pyrazol-3-yl)methanone Openeye Name: [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(4-bromo-5-methyl-1H-pyrazol-3-yl)methanone CAS Name: [4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-(4-bromo-5-methyl-1H-pyrazol-3-yl)methanone IUPAC Name: [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(4-bromo-5-methyl-1H-pyrazol-3-yl)methanone Traditional Name: [4-[bis(4-fluorophenyl)methyl]piperazino]-(4-bromo-5-methyl-1H-pyrazol-3-yl)methanone Formula: C22H21BrF2N4O MolecularWeight: 475.329146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)Br

Isomeric SMILES

CC1=C(C(=NN1)C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)Br

InChI

InChI=1S/C22H21BrF2N4O/c1-14-19(23)20(27-26-14)22(30)29-12-10-28(11-13-29)21(15-2-6-17(24)7-3-15)16-4-8-18(25)9-5-16/h2-9,21H,10-13H2,1H3,(H,26,27)