4-[[4-[(2-bromanylphenoxy)methyl]phenyl]carbonylamino]-2-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-[[4-[(2-bromanylphenoxy)methyl]phenyl]carbonylamino]-2-ethyl-pyrazole-3-carboxamide Openeye Name: 4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-2-ethyl-pyrazole-3-carboxamide CAS Name: 4-[[[4-[(2-bromophenoxy)methyl]phenyl]-oxomethyl]amino]-2-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-2-ethylpyrazole-3-carboxamide Traditional Name: 4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-2-ethyl-pyrazole-3-carboxamide Formula: C20H19BrN4O3 MolecularWeight: 443.29386

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)NC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3Br)C(=O)N

Isomeric SMILES

CCN1C(=C(C=N1)NC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3Br)C(=O)N

InChI

InChI=1S/C20H19BrN4O3/c1-2-25-18(19(22)26)16(11-23-25)24-20(27)14-9-7-13(8-10-14)12-28-17-6-4-3-5-15(17)21/h3-11H,2,12H2,1H3,(H2,22,26)(H,24,27)