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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C=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/c1-12-16(11-20(2)19-12)3-4-17(21)18-8-13-5-14(9-18)7-15(6-13)10-18/h3-4,11,13-15H,5-10H2,1-2H3/b4-3+