tert-butyl N-[2-[(3-chloranyl-4-methyl-phenyl)methyl]-4-methyl-3-oxidanylidene-1H-pyrazol-5-yl]carbamate

Systemtic Name: tert-butyl N-[2-[(3-chloranyl-4-methyl-phenyl)methyl]-4-methyl-3-oxidanylidene-1H-pyrazol-5-yl]carbamate Openeye Name: tert-butyl N-[2-[(3-chloro-4-methyl-phenyl)methyl]-4-methyl-3-oxo-1H-pyrazol-5-yl]carbamate CAS Name: N-[2-[(3-chloro-4-methylphenyl)methyl]-4-methyl-3-oxo-1H-pyrazol-5-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[(3-chloro-4-methylphenyl)methyl]-4-methyl-3-oxo-1H-pyrazol-5-yl]carbamate Traditional Name: N-[1-(3-chloro-4-methyl-benzyl)-5-keto-4-methyl-3-pyrazolin-3-yl]carbamic acid tert-butyl ester Formula: C17H22ClN3O3 MolecularWeight: 351.82788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2C(=O)C(=C(N2)NC(=O)OC(C)(C)C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CN2C(=O)C(=C(N2)NC(=O)OC(C)(C)C)C)Cl

InChI

InChI=1S/C17H22ClN3O3/c1-10-6-7-12(8-13(10)18)9-21-15(22)11(2)14(20-21)19-16(23)24-17(3,4)5/h6-8,20H,9H2,1-5H3,(H,19,23)