N-(4-tert-butylphenyl)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: N-(4-tert-butylphenyl)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: N-(4-tert-butylphenyl)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: N-(4-tert-butylphenyl)-3-[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: N-(4-tert-butylphenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: N-(4-tert-butylphenyl)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C28H26FN3O MolecularWeight: 439.523943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C28H26FN3O/c1-28(2,3)22-12-16-24(17-13-22)30-26(33)18-11-21-19-32(25-7-5-4-6-8-25)31-27(21)20-9-14-23(29)15-10-20/h4-19H,1-3H3,(H,30,33)