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

Systemtic Name: (E)-1-(1-adamantyl)-3-(2-methylpyrazol-3-yl)prop-2-en-1-one Openeye Name: (E)-1-(1-adamantyl)-3-(2-methylpyrazol-3-yl)prop-2-en-1-one CAS Name: (E)-1-(1-adamantyl)-3-(2-methyl-3-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-(1-adamantyl)-3-(2-methylpyrazol-3-yl)prop-2-en-1-one Traditional Name: (E)-1-(1-adamantyl)-3-(2-methylpyrazol-3-yl)prop-2-en-1-one Formula: C17H22N2O MolecularWeight: 270.36938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C=CC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN1C(=CC=N1)/C=C/C(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C17H22N2O/c1-19-15(4-5-18-19)2-3-16(20)17-9-12-6-13(10-17)8-14(7-12)11-17/h2-5,12-14H,6-11H2,1H3/b3-2+