N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C22H21ClN4O2 MolecularWeight: 408.88074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=CC3=C(C=C2)OC(=N3)C(C)(C)C)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=CC3=C(C=C2)OC(=N3)C(C)(C)C)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H21ClN4O2/c1-13-18(19(23)27(26-13)15-8-6-5-7-9-15)20(28)24-14-10-11-17-16(12-14)25-21(29-17)22(2,3)4/h5-12H,1-4H3,(H,24,28)