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

Systemtic Name: 5-[4-(diphenylmethyl)piperazin-1-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-(4-benzhydrylpiperazin-1-yl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-[4-(diphenylmethyl)-1-piperazinyl]-1-methyl-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(4-benzhydrylpiperazin-1-yl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 5-(4-benzhydrylpiperazino)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C23H22F3N5 MolecularWeight: 425.44949

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)C#N)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)C#N)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H22F3N5/c1-29-22(19(16-27)21(28-29)23(24,25)26)31-14-12-30(13-15-31)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,20H,12-15H2,1H3