[2-(2,4-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

Systemtic Name: [2-(2,4-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-1-yl]-[2-(2,4-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanone CAS Name: [2-(2,4-dimethylphenyl)-5-(4-fluorophenyl)-3-pyrazolyl]-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methanone IUPAC Name: [2-(2,4-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazino]-[2-(2,4-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanone Formula: C31H31FN4O MolecularWeight: 494.602443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)F)C(=O)N4CCN(CC4)CC=CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)F)C(=O)N4CCN(CC4)C/C=C/C5=CC=CC=C5)C

InChI

InChI=1S/C31H31FN4O/c1-23-10-15-29(24(2)21-23)36-30(22-28(33-36)26-11-13-27(32)14-12-26)31(37)35-19-17-34(18-20-35)16-6-9-25-7-4-3-5-8-25/h3-15,21-22H,16-20H2,1-2H3/b9-6+