(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl N-(4-propan-2-ylphenyl)carbamate

Systemtic Name: (4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl N-(4-propan-2-ylphenyl)carbamate Openeye Name: (4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methyl N-(4-isopropylphenyl)carbamate CAS Name: N-(4-propan-2-ylphenyl)carbamic acid (4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl N-(4-propan-2-ylphenyl)carbamate Traditional Name: N-p-cumenylcarbamic acid (4-bromo-5-keto-2-methyl-1-phenyl-3-pyrazolin-3-yl)methyl ester Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)OCC2=C(C(=O)N(N2C)C3=CC=CC=C3)Br

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)OCC2=C(C(=O)N(N2C)C3=CC=CC=C3)Br

InChI

InChI=1S/C21H22BrN3O3/c1-14(2)15-9-11-16(12-10-15)23-21(27)28-13-18-19(22)20(26)25(24(18)3)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,23,27)