(E)-1-(1-adamantyl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(1-adamantyl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-(1-adamantyl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-(1-adamantyl)-3-(1,3-diphenyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-(1-adamantyl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(1-adamantyl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-en-1-one Formula: C28H28N2O MolecularWeight: 408.53472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O/c31-26(28-16-20-13-21(17-28)15-22(14-20)18-28)12-11-24-19-30(25-9-5-2-6-10-25)29-27(24)23-7-3-1-4-8-23/h1-12,19-22H,13-18H2/b12-11+