4-[[4-[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[1-(4-bromophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]piperazino]methyl]benzonitrile Formula: C23H22BrN5O MolecularWeight: 464.35768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H22BrN5O/c1-17-22(15-26-29(17)21-8-6-20(24)7-9-21)23(30)28-12-10-27(11-13-28)16-19-4-2-18(14-25)3-5-19/h2-9,15H,10-13,16H2,1H3