(3Z,5E)-1-methyl-3,5-bis[[1-(phenylmethyl)pyrazol-4-yl]methylidene]piperidin-4-one

Systemtic Name: (3Z,5E)-1-methyl-3,5-bis[[1-(phenylmethyl)pyrazol-4-yl]methylidene]piperidin-4-one Openeye Name: (3Z,5E)-3,5-bis[(1-benzylpyrazol-4-yl)methylene]-1-methyl-piperidin-4-one CAS Name: (3Z,5E)-1-methyl-3,5-bis[[1-(phenylmethyl)-4-pyrazolyl]methylidene]-4-piperidinone IUPAC Name: (3Z,5E)-3,5-bis[(1-benzylpyrazol-4-yl)methylidene]-1-methylpiperidin-4-one Traditional Name: (3Z,5E)-3,5-bis[(1-benzylpyrazol-4-yl)methylene]-1-methyl-4-piperidone Formula: C28H27N5O MolecularWeight: 449.54688

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=CC2=CN(N=C2)CC3=CC=CC=C3)C(=O)C(=CC4=CN(N=C4)CC5=CC=CC=C5)C1

Isomeric SMILES

CN1C/C(=C\C2=CN(N=C2)CC3=CC=CC=C3)/C(=O)/C(=C\C4=CN(N=C4)CC5=CC=CC=C5)/C1

InChI

InChI=1S/C28H27N5O/c1-31-20-26(12-24-14-29-32(18-24)16-22-8-4-2-5-9-22)28(34)27(21-31)13-25-15-30-33(19-25)17-23-10-6-3-7-11-23/h2-15,18-19H,16-17,20-21H2,1H3/b26-12-,27-13+