1-methyl-5-(4-phenylpiperazin-1-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 1-methyl-5-(4-phenylpiperazin-1-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 1-methyl-5-(4-phenylpiperazin-1-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 1-methyl-5-(4-phenyl-1-piperazinyl)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 1-methyl-5-(4-phenylpiperazin-1-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 1-methyl-5-(4-phenylpiperazino)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C16H16F3N5 MolecularWeight: 335.32695

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16F3N5/c1-22-15(13(11-20)14(21-22)16(17,18)19)24-9-7-23(8-10-24)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3