tert-butyl N-[[3-methyl-5-oxidanylidene-1-(phenylcarbamoyl)-4H-pyrazol-4-yl]amino]carbamate

Systemtic Name: tert-butyl N-[[3-methyl-5-oxidanylidene-1-(phenylcarbamoyl)-4H-pyrazol-4-yl]amino]carbamate Openeye Name: tert-butyl N-[[3-methyl-5-oxo-1-(phenylcarbamoyl)-4H-pyrazol-4-yl]amino]carbamate CAS Name: N-[[1-[anilino(oxo)methyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-methyl-5-oxo-1-(phenylcarbamoyl)-4H-pyrazol-4-yl]amino]carbamate Traditional Name: N-[[5-keto-3-methyl-1-(phenylcarbamoyl)-2-pyrazolin-4-yl]amino]carbamic acid tert-butyl ester Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1NNC(=O)OC(C)(C)C)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=O)C1NNC(=O)OC(C)(C)C)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C16H21N5O4/c1-10-12(18-19-15(24)25-16(2,3)4)13(22)21(20-10)14(23)17-11-8-6-5-7-9-11/h5-9,12,18H,1-4H3,(H,17,23)(H,19,24)