N-[(4-bromanyl-2-ethyl-pyrazol-3-yl)methyl]-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[(4-bromanyl-2-ethyl-pyrazol-3-yl)methyl]-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[(4-bromo-2-ethyl-pyrazol-3-yl)methyl]-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[(4-bromo-2-ethyl-3-pyrazolyl)methyl]-1-[(4-tert-butylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[(4-bromo-2-ethylpyrazol-3-yl)methyl]-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[(4-bromo-2-ethyl-pyrazol-3-yl)methyl]-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide Formula: C21H26BrN5O2 MolecularWeight: 460.36744

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)Br)CNC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCN1C(=C(C=N1)Br)CNC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H26BrN5O2/c1-5-27-19(17(22)12-24-27)13-23-20(28)18-10-11-26(25-18)14-29-16-8-6-15(7-9-16)21(2,3)4/h6-12H,5,13-14H2,1-4H3,(H,23,28)