tert-butyl [5-(4-ethylphenyl)-2-phenyl-4-quinolin-2-yl-pyrazol-3-yl] carbonate

Systemtic Name: tert-butyl [5-(4-ethylphenyl)-2-phenyl-4-quinolin-2-yl-pyrazol-3-yl] carbonate Openeye Name: tert-butyl [5-(4-ethylphenyl)-2-phenyl-4-(2-quinolyl)pyrazol-3-yl] carbonate CAS Name: carbonic acid tert-butyl [5-(4-ethylphenyl)-2-phenyl-4-(2-quinolinyl)-3-pyrazolyl] ester IUPAC Name: tert-butyl [5-(4-ethylphenyl)-2-phenyl-4-quinolin-2-ylpyrazol-3-yl] carbonate Traditional Name: carbonic acid tert-butyl [5-(4-ethylphenyl)-2-phenyl-4-(2-quinolyl)pyrazol-3-yl] ester Formula: C31H29N3O3 MolecularWeight: 491.58026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C(=C2C3=NC4=CC=CC=C4C=C3)OC(=O)OC(C)(C)C)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C(=C2C3=NC4=CC=CC=C4C=C3)OC(=O)OC(C)(C)C)C5=CC=CC=C5

InChI

InChI=1S/C31H29N3O3/c1-5-21-15-17-23(18-16-21)28-27(26-20-19-22-11-9-10-14-25(22)32-26)29(36-30(35)37-31(2,3)4)34(33-28)24-12-7-6-8-13-24/h6-20H,5H2,1-4H3