1-phenyl-5-[4-(phenylmethyl)piperazin-1-yl]-3-(trifluoromethyl)pyrazole-4-carbaldehyde

Systemtic Name: 1-phenyl-5-[4-(phenylmethyl)piperazin-1-yl]-3-(trifluoromethyl)pyrazole-4-carbaldehyde Openeye Name: 5-(4-benzylpiperazin-1-yl)-1-phenyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde CAS Name: 1-phenyl-5-[4-(phenylmethyl)-1-piperazinyl]-3-(trifluoromethyl)-4-pyrazolecarboxaldehyde IUPAC Name: 5-(4-benzylpiperazin-1-yl)-1-phenyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde Traditional Name: 5-(4-benzylpiperazino)-1-phenyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde Formula: C22H21F3N4O MolecularWeight: 414.42355

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NN3C4=CC=CC=C4)C(F)(F)F)C=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NN3C4=CC=CC=C4)C(F)(F)F)C=O

InChI

InChI=1S/C22H21F3N4O/c23-22(24,25)20-19(16-30)21(29(26-20)18-9-5-2-6-10-18)28-13-11-27(12-14-28)15-17-7-3-1-4-8-17/h1-10,16H,11-15H2