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

Systemtic Name: tert-butyl 4-[(E)-[4-oxidanylidene-1-(triphenylmethyl)piperidin-3-ylidene]methyl]pyrazole-1-carboxylate Openeye Name: tert-butyl 4-[(E)-(4-oxo-1-trityl-3-piperidylidene)methyl]pyrazole-1-carboxylate CAS Name: 4-[(E)-[4-oxo-1-(triphenylmethyl)-3-piperidinylidene]methyl]-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-(4-oxo-1-tritylpiperidin-3-ylidene)methyl]pyrazole-1-carboxylate Traditional Name: 4-[(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=C(C=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=C(C=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)36-23-25(22-34-36)21-26-24-35(20-19-30(26)37)33(27-13-7-4-8-14-27,28-15-9-5-10-16-28)29-17-11-6-12-18-29/h4-18,21-23H,19-20,24H2,1-3H3/b26-21+