N-[(4-tert-butylphenyl)methyl]-4-chloranyl-2-methyl-5-(2-oxidanylideneethyl)pyrazole-3-carboxamide

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-4-chloranyl-2-methyl-5-(2-oxidanylideneethyl)pyrazole-3-carboxamide Openeye Name: N-[(4-tert-butylphenyl)methyl]-4-chloro-2-methyl-5-(2-oxoethyl)pyrazole-3-carboxamide CAS Name: N-[(4-tert-butylphenyl)methyl]-4-chloro-2-methyl-5-(2-oxoethyl)-3-pyrazolecarboxamide IUPAC Name: N-[(4-tert-butylphenyl)methyl]-4-chloro-2-methyl-5-(2-oxoethyl)pyrazole-3-carboxamide Traditional Name: N-(4-tert-butylbenzyl)-4-chloro-5-(2-ketoethyl)-2-methyl-pyrazole-3-carboxamide Formula: C18H22ClN3O2 MolecularWeight: 347.83918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=O)C2=C(C(=NN2C)CC=O)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=O)C2=C(C(=NN2C)CC=O)Cl

InChI

InChI=1S/C18H22ClN3O2/c1-18(2,3)13-7-5-12(6-8-13)11-20-17(24)16-15(19)14(9-10-23)21-22(16)4/h5-8,10H,9,11H2,1-4H3,(H,20,24)