(3E)-3-(1H-1,2,4-triazol-5-ylmethylidene)-1-(triphenylmethyl)piperidin-4-one

Systemtic Name: (3E)-3-(1H-1,2,4-triazol-5-ylmethylidene)-1-(triphenylmethyl)piperidin-4-one Openeye Name: (3E)-3-(1H-1,2,4-triazol-5-ylmethylene)-1-trityl-piperidin-4-one CAS Name: (3E)-3-(1H-1,2,4-triazol-5-ylmethylidene)-1-(triphenylmethyl)-4-piperidinone IUPAC Name: (3E)-3-(1H-1,2,4-triazol-5-ylmethylidene)-1-tritylpiperidin-4-one Traditional Name: (3E)-3-(1H-1,2,4-triazol-5-ylmethylene)-1-trityl-4-piperidone Formula: C27H24N4O MolecularWeight: 420.50566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=CC2=NC=NN2)C1=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(C/C(=C\C2=NC=NN2)/C1=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4O/c32-25-16-17-31(19-21(25)18-26-28-20-29-30-26)27(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,18,20H,16-17,19H2,(H,28,29,30)/b21-18+