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

Systemtic Name: (3E,5E)-3,5-bis[(1-methylpyrazol-4-yl)methylidene]-1-(phenylmethyl)piperidin-4-one Openeye Name: (3E,5E)-1-benzyl-3,5-bis[(1-methylpyrazol-4-yl)methylene]piperidin-4-one CAS Name: (3E,5E)-3,5-bis[(1-methyl-4-pyrazolyl)methylidene]-1-(phenylmethyl)-4-piperidinone IUPAC Name: (3E,5E)-1-benzyl-3,5-bis[(1-methylpyrazol-4-yl)methylidene]piperidin-4-one Traditional Name: (3E,5E)-1-benzyl-3,5-bis[(1-methylpyrazol-4-yl)methylene]-4-piperidone Formula: C22H23N5O MolecularWeight: 373.45092

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=C2CN(CC(=CC3=CN(N=C3)C)C2=O)CC4=CC=CC=C4

Isomeric SMILES

CN1N=CC(=C1)/C=C\2/C(=O)/C(=C/C3=CN(N=C3)C)/CN(C2)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O/c1-25-12-18(10-23-25)8-20-15-27(14-17-6-4-3-5-7-17)16-21(22(20)28)9-19-11-24-26(2)13-19/h3-13H,14-16H2,1-2H3/b20-8+,21-9+