(Z)-3-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide

Systemtic Name: (Z)-3-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide Openeye Name: (Z)-3-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide CAS Name: (Z)-3-[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-(2-oxolanylmethyl)-2-propenamide IUPAC Name: (Z)-3-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide Traditional Name: (Z)-3-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(tetrahydrofurfuryl)acrylamide Formula: C28H32N4O2 MolecularWeight: 456.57928

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C(=CC2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C#N

Isomeric SMILES

C1CC(OC1)CNC(=O)/C(=C\C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)/C#N

InChI

InChI=1S/C28H32N4O2/c29-16-22(27(33)30-17-25-7-4-8-34-25)12-23-18-32(24-5-2-1-3-6-24)31-26(23)28-13-19-9-20(14-28)11-21(10-19)15-28/h1-3,5-6,12,18-21,25H,4,7-11,13-15,17H2,(H,30,33)/b22-12-