4-[[3-[(2-bromanylphenoxy)methyl]-4-methoxy-phenyl]carbonylamino]-1-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-[[3-[(2-bromanylphenoxy)methyl]-4-methoxy-phenyl]carbonylamino]-1-ethyl-pyrazole-3-carboxamide Openeye Name: 4-[[3-[(2-bromophenoxy)methyl]-4-methoxy-benzoyl]amino]-1-ethyl-pyrazole-3-carboxamide CAS Name: 4-[[[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-[[3-[(2-bromophenoxy)methyl]-4-methoxybenzoyl]amino]-1-ethylpyrazole-3-carboxamide Traditional Name: 4-[[3-[(2-bromophenoxy)methyl]-4-methoxy-benzoyl]amino]-1-ethyl-pyrazole-3-carboxamide Formula: C21H21BrN4O4 MolecularWeight: 473.31984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN4O4/c1-3-26-11-16(19(25-26)20(23)27)24-21(28)13-8-9-17(29-2)14(10-13)12-30-18-7-5-4-6-15(18)22/h4-11H,3,12H2,1-2H3,(H2,23,27)(H,24,28)