1-[(4-bromanyl-2-chloranyl-phenoxy)methyl]-N-(1-ethyl-5-morpholin-4-ylcarbonyl-pyrazol-4-yl)pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanyl-2-chloranyl-phenoxy)methyl]-N-(1-ethyl-5-morpholin-4-ylcarbonyl-pyrazol-4-yl)pyrazole-3-carboxamide Openeye Name: 1-[(4-bromo-2-chloro-phenoxy)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-ethyl-5-[4-morpholinyl(oxo)methyl]-4-pyrazolyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]pyrazole-3-carboxamide Traditional Name: 1-[(4-bromo-2-chloro-phenoxy)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]pyrazole-3-carboxamide Formula: C21H22BrClN6O4 MolecularWeight: 537.79418

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)Br)Cl)C(=O)N4CCOCC4

Isomeric SMILES

CCN1C(=C(C=N1)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)Br)Cl)C(=O)N4CCOCC4

InChI

InChI=1S/C21H22BrClN6O4/c1-2-29-19(21(31)27-7-9-32-10-8-27)17(12-24-29)25-20(30)16-5-6-28(26-16)13-33-18-4-3-14(22)11-15(18)23/h3-6,11-12H,2,7-10,13H2,1H3,(H,25,30)