tert-butyl 3-[(E)-[4-oxidanylidene-1-(triphenylmethyl)piperidin-3-ylidene]methyl]pyrazole-1-carboxylate

Systemtic Name: tert-butyl 3-[(E)-[4-oxidanylidene-1-(triphenylmethyl)piperidin-3-ylidene]methyl]pyrazole-1-carboxylate Openeye Name: tert-butyl 3-[(E)-(4-oxo-1-trityl-3-piperidylidene)methyl]pyrazole-1-carboxylate CAS Name: 3-[(E)-[4-oxo-1-(triphenylmethyl)-3-piperidinylidene]methyl]-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(E)-(4-oxo-1-tritylpiperidin-3-ylidene)methyl]pyrazole-1-carboxylate Traditional Name: 3-[(E)-(4-keto-1-trityl-3-piperidylidene)methyl]pyrazole-1-carboxylic acid tert-butyl ester Formula: C33H33N3O3 MolecularWeight: 519.63342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC(=N1)C=C2CN(CCC2=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC(=N1)/C=C/2\CN(CCC2=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H33N3O3/c1-32(2,3)39-31(38)36-22-19-29(34-36)23-25-24-35(21-20-30(25)37)33(26-13-7-4-8-14-26,27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-19,22-23H,20-21,24H2,1-3H3/b25-23+