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

Systemtic Name: (3Z,5E)-1-ethyl-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-ethyl-piperidin-4-one CAS Name: (3Z,5E)-1-ethyl-3,5-bis[[1-(phenylmethyl)-4-pyrazolyl]methylidene]-4-piperidinone IUPAC Name: (3Z,5E)-3,5-bis[(1-benzylpyrazol-4-yl)methylidene]-1-ethylpiperidin-4-one Traditional Name: (3Z,5E)-3,5-bis[(1-benzylpyrazol-4-yl)methylene]-1-ethyl-4-piperidone Formula: C29H29N5O MolecularWeight: 463.57346

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(=CC2=CN(N=C2)CC3=CC=CC=C3)C(=O)C(=CC4=CN(N=C4)CC5=CC=CC=C5)C1

Isomeric SMILES

CCN1C/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/C29H29N5O/c1-2-32-21-27(13-25-15-30-33(19-25)17-23-9-5-3-6-10-23)29(35)28(22-32)14-26-16-31-34(20-26)18-24-11-7-4-8-12-24/h3-16,19-20H,2,17-18,21-22H2,1H3/b27-13-,28-14+