(E)-1-(1-adamantyl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(1-adamantyl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one Openeye Name: (E)-1-(1-adamantyl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one CAS Name: (E)-1-(1-adamantyl)-3-(2,5-dimethyl-3-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-(1-adamantyl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one Traditional Name: (E)-1-(1-adamantyl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one Formula: C18H24N2O MolecularWeight: 284.39596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C=CC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=NN(C(=C1)/C=C/C(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C18H24N2O/c1-12-5-16(20(2)19-12)3-4-17(21)18-9-13-6-14(10-18)8-15(7-13)11-18/h3-5,13-15H,6-11H2,1-2H3/b4-3+