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

Systemtic Name: (E)-1-(1-adamantyl)-3-(1-ethylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-(1-adamantyl)-3-(1-ethylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-(1-adamantyl)-3-(1-ethyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-(1-adamantyl)-3-(1-ethylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(1-adamantyl)-3-(1-ethylpyrazol-4-yl)prop-2-en-1-one Formula: C18H24N2O MolecularWeight: 284.39596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C=CC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCN1C=C(C=N1)/C=C/C(=O)C23CC4CC(C2)CC(C4)C3

InChI

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