(E)-3-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-3-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-3-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-3-[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-3-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-3-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C22H23N3 MolecularWeight: 329.43812

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C=CC#N)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4/C=C/C#N)C5=CC=CC=C5

InChI

InChI=1S/C22H23N3/c23-8-4-5-19-15-25(20-6-2-1-3-7-20)24-21(19)22-12-16-9-17(13-22)11-18(10-16)14-22/h1-7,15-18H,9-14H2/b5-4+