tert-butyl N-[4-(2-ethyl-5-phenyl-pyrazol-3-yl)-4-oxidanylidene-but-2-ynyl]carbamate

Systemtic Name: tert-butyl N-[4-(2-ethyl-5-phenyl-pyrazol-3-yl)-4-oxidanylidene-but-2-ynyl]carbamate Openeye Name: tert-butyl N-[4-(2-ethyl-5-phenyl-pyrazol-3-yl)-4-oxo-but-2-ynyl]carbamate CAS Name: N-[4-(2-ethyl-5-phenyl-3-pyrazolyl)-4-oxobut-2-ynyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(2-ethyl-5-phenylpyrazol-3-yl)-4-oxobut-2-ynyl]carbamate Traditional Name: N-[4-(2-ethyl-5-phenyl-pyrazol-3-yl)-4-keto-but-2-ynyl]carbamic acid tert-butyl ester Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C2=CC=CC=C2)C(=O)C#CCNC(=O)OC(C)(C)C

Isomeric SMILES

CCN1C(=CC(=N1)C2=CC=CC=C2)C(=O)C#CCNC(=O)OC(C)(C)C

InChI

InChI=1S/C20H23N3O3/c1-5-23-17(14-16(22-23)15-10-7-6-8-11-15)18(24)12-9-13-21-19(25)26-20(2,3)4/h6-8,10-11,14H,5,13H2,1-4H3,(H,21,25)