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

Systemtic Name: (E)-N-(1-adamantyl)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-N-(1-adamantyl)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-N-(1-adamantyl)-3-[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-(1-adamantyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-N-(1-adamantyl)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C28H28FN3O MolecularWeight: 441.539823

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C=CC4=CN(N=C4C5=CC=C(C=C5)F)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)/C=C/C4=CN(N=C4C5=CC=C(C=C5)F)C6=CC=CC=C6

InChI

InChI=1S/C28H28FN3O/c29-24-9-6-22(7-10-24)27-23(18-32(31-27)25-4-2-1-3-5-25)8-11-26(33)30-28-15-19-12-20(16-28)14-21(13-19)17-28/h1-11,18-21H,12-17H2,(H,30,33)/b11-8+