tert-butyl 4-methyl-2-[(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)carbonylamino]pentanoate

Systemtic Name: tert-butyl 4-methyl-2-[(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)carbonylamino]pentanoate Openeye Name: tert-butyl 4-methyl-2-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoate CAS Name: 4-methyl-2-[[oxo-(3-oxo-2-phenyl-1H-pyrazol-5-yl)methyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-methyl-2-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoate Traditional Name: 2-[(5-keto-1-phenyl-3-pyrazoline-3-carbonyl)amino]-4-methyl-valeric acid tert-butyl ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC(C)(C)C)NC(=O)C1=CC(=O)N(N1)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)OC(C)(C)C)NC(=O)C1=CC(=O)N(N1)C2=CC=CC=C2

InChI

InChI=1S/C20H27N3O4/c1-13(2)11-16(19(26)27-20(3,4)5)21-18(25)15-12-17(24)23(22-15)14-9-7-6-8-10-14/h6-10,12-13,16,22H,11H2,1-5H3,(H,21,25)