(E)-1-(1-adamantyl)-4-(1-methylpyrazol-4-yl)but-3-en-2-one

Systemtic Name: (E)-1-(1-adamantyl)-4-(1-methylpyrazol-4-yl)but-3-en-2-one Openeye Name: (E)-1-(1-adamantyl)-4-(1-methylpyrazol-4-yl)but-3-en-2-one CAS Name: (E)-1-(1-adamantyl)-4-(1-methyl-4-pyrazolyl)-3-buten-2-one IUPAC Name: (E)-1-(1-adamantyl)-4-(1-methylpyrazol-4-yl)but-3-en-2-one Traditional Name: (E)-1-(1-adamantyl)-4-(1-methylpyrazol-4-yl)but-3-en-2-one Formula: C18H24N2O MolecularWeight: 284.39596

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H24N2O/c1-20-12-13(11-19-20)2-3-17(21)10-18-7-14-4-15(8-18)6-16(5-14)9-18/h2-3,11-12,14-16H,4-10H2,1H3/b3-2+