1-methyl-5-[4-(phenylmethyl)piperazin-1-yl]-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 1-methyl-5-[4-(phenylmethyl)piperazin-1-yl]-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-(4-benzylpiperazin-1-yl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 1-methyl-5-[4-(phenylmethyl)-1-piperazinyl]-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(4-benzylpiperazin-1-yl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperazino)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C17H18F3N5 MolecularWeight: 349.35353

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)C#N)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)C#N)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H18F3N5/c1-23-16(14(11-21)15(22-23)17(18,19)20)25-9-7-24(8-10-25)12-13-5-3-2-4-6-13/h2-6H,7-10,12H2,1H3