tert-butyl N-[3-oxidanylidene-2-(2-phenoxypropyl)-1H-pyrazol-5-yl]carbamate

Systemtic Name: tert-butyl N-[3-oxidanylidene-2-(2-phenoxypropyl)-1H-pyrazol-5-yl]carbamate Openeye Name: tert-butyl N-[3-oxo-2-(2-phenoxypropyl)-1H-pyrazol-5-yl]carbamate CAS Name: N-[3-oxo-2-(2-phenoxypropyl)-1H-pyrazol-5-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-oxo-2-(2-phenoxypropyl)-1H-pyrazol-5-yl]carbamate Traditional Name: N-[5-keto-1-(2-phenoxypropyl)-3-pyrazolin-3-yl]carbamic acid tert-butyl ester Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C=C(N1)NC(=O)OC(C)(C)C)OC2=CC=CC=C2

Isomeric SMILES

CC(CN1C(=O)C=C(N1)NC(=O)OC(C)(C)C)OC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O4/c1-12(23-13-8-6-5-7-9-13)11-20-15(21)10-14(19-20)18-16(22)24-17(2,3)4/h5-10,12,19H,11H2,1-4H3,(H,18,22)