N-(3-chloranyl-2-morpholin-4-yl-phenyl)-5-ethyl-1-(4-nitrophenyl)pyrazole-4-carboxamide

Systemtic Name: N-(3-chloranyl-2-morpholin-4-yl-phenyl)-5-ethyl-1-(4-nitrophenyl)pyrazole-4-carboxamide Openeye Name: N-(3-chloro-2-morpholino-phenyl)-5-ethyl-1-(4-nitrophenyl)pyrazole-4-carboxamide CAS Name: N-[3-chloro-2-(4-morpholinyl)phenyl]-5-ethyl-1-(4-nitrophenyl)-4-pyrazolecarboxamide IUPAC Name: N-(3-chloro-2-morpholin-4-ylphenyl)-5-ethyl-1-(4-nitrophenyl)pyrazole-4-carboxamide Traditional Name: N-(3-chloro-2-morpholino-phenyl)-5-ethyl-1-(4-nitrophenyl)pyrazole-4-carboxamide Formula: C22H22ClN5O4 MolecularWeight: 455.89418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C(=CC=C3)Cl)N4CCOCC4

Isomeric SMILES

CCC1=C(C=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C(=CC=C3)Cl)N4CCOCC4

InChI

InChI=1S/C22H22ClN5O4/c1-2-20-17(14-24-27(20)15-6-8-16(9-7-15)28(30)31)22(29)25-19-5-3-4-18(23)21(19)26-10-12-32-13-11-26/h3-9,14H,2,10-13H2,1H3,(H,25,29)