(3E)-3-(1H-pyrazol-4-ylmethylidene)-1-(triphenylmethyl)piperidin-4-one

Systemtic Name: (3E)-3-(1H-pyrazol-4-ylmethylidene)-1-(triphenylmethyl)piperidin-4-one Openeye Name: (3E)-3-(1H-pyrazol-4-ylmethylene)-1-trityl-piperidin-4-one CAS Name: (3E)-3-(1H-pyrazol-4-ylmethylidene)-1-(triphenylmethyl)-4-piperidinone IUPAC Name: (3E)-3-(1H-pyrazol-4-ylmethylidene)-1-tritylpiperidin-4-one Traditional Name: (3E)-3-(1H-pyrazol-4-ylmethylene)-1-trityl-4-piperidone Formula: C28H25N3O MolecularWeight: 419.5176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=CC2=CNN=C2)C1=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(C/C(=C\C2=CNN=C2)/C1=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H25N3O/c32-27-16-17-31(21-23(27)18-22-19-29-30-20-22)28(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,18-20H,16-17,21H2,(H,29,30)/b23-18+