3-chloranyl-N-[2-[(2,5-ditert-butylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-N-ethyl-benzamide

Systemtic Name: 3-chloranyl-N-[2-[(2,5-ditert-butylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-N-ethyl-benzamide Openeye Name: 3-chloro-N-[2-[(2,5-ditert-butylpyrazol-3-yl)amino]-2-oxo-ethyl]-N-ethyl-benzamide CAS Name: 3-chloro-N-[2-[(2,5-ditert-butyl-3-pyrazolyl)amino]-2-oxoethyl]-N-ethylbenzamide IUPAC Name: 3-chloro-N-[2-[(2,5-ditert-butylpyrazol-3-yl)amino]-2-oxoethyl]-N-ethylbenzamide Traditional Name: 3-chloro-N-[2-[(2,5-ditert-butylpyrazol-3-yl)amino]-2-keto-ethyl]-N-ethyl-benzamide Formula: C22H31ClN4O2 MolecularWeight: 418.96014

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC(=NN1C(C)(C)C)C(C)(C)C)C(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCN(CC(=O)NC1=CC(=NN1C(C)(C)C)C(C)(C)C)C(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C22H31ClN4O2/c1-8-26(20(29)15-10-9-11-16(23)12-15)14-19(28)24-18-13-17(21(2,3)4)25-27(18)22(5,6)7/h9-13H,8,14H2,1-7H3,(H,24,28)