tert-butyl 4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine-1-carboxylate CAS Name: 4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NNC(=C2)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NNC(=C2)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O3/c1-24(2,3)31-23(29)28-15-13-27(14-16-28)22-17-21(25-26-22)18-9-11-20(12-10-18)30-19-7-5-4-6-8-19/h4-12,17H,13-16H2,1-3H3,(H,25,26)