(E)-1-(1-adamantyl)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(1-adamantyl)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-1-(1-adamantyl)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]prop-2-en-1-one CAS Name: (E)-1-(1-adamantyl)-3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-1-(1-adamantyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one Traditional Name: (E)-1-(1-adamantyl)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]prop-2-en-1-one Formula: C29H30N2O MolecularWeight: 422.5613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C29H30N2O/c1-20-7-9-24(10-8-20)28-25(19-31(30-28)26-5-3-2-4-6-26)11-12-27(32)29-16-21-13-22(17-29)15-23(14-21)18-29/h2-12,19,21-23H,13-18H2,1H3/b12-11+