N2-[3-chloranyl-4-(3-oxidanylidenemorpholin-4-yl)phenyl]-N1-(4-ethynylphenyl)-4-oxidanyl-pyrazolidine-1,2-dicarboxamide

Systemtic Name: N2-[3-chloranyl-4-(3-oxidanylidenemorpholin-4-yl)phenyl]-N1-(4-ethynylphenyl)-4-oxidanyl-pyrazolidine-1,2-dicarboxamide Openeye Name: N2-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]-N1-(4-ethynylphenyl)-4-hydroxy-pyrazolidine-1,2-dicarboxamide CAS Name: N2-[3-chloro-4-(3-oxo-4-morpholinyl)phenyl]-N1-(4-ethynylphenyl)-4-hydroxypyrazolidine-1,2-dicarboxamide IUPAC Name: 2-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]-1-N-(4-ethynylphenyl)-4-hydroxypyrazolidine-1,2-dicarboxamide Traditional Name: N'-[3-chloro-4-(3-ketomorpholino)phenyl]-N-(4-ethynylphenyl)-4-hydroxy-pyrazolidine-1,2-dicarboxamide Formula: C23H22ClN5O5 MolecularWeight: 483.90428

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)NC(=O)N2CC(CN2C(=O)NC3=CC(=C(C=C3)N4CCOCC4=O)Cl)O

Isomeric SMILES

C#CC1=CC=C(C=C1)NC(=O)N2CC(CN2C(=O)NC3=CC(=C(C=C3)N4CCOCC4=O)Cl)O

InChI

InChI=1S/C23H22ClN5O5/c1-2-15-3-5-16(6-4-15)25-22(32)28-12-18(30)13-29(28)23(33)26-17-7-8-20(19(24)11-17)27-9-10-34-14-21(27)31/h1,3-8,11,18,30H,9-10,12-14H2,(H,25,32)(H,26,33)