5-[5-ethyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxy-3-pyrrolidin-1-yl-phenyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 5-[5-ethyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxy-3-pyrrolidin-1-yl-phenyl)-1,2-dihydropyrazol-3-one Openeye Name: 5-(5-ethyl-2,4-dihydroxy-phenyl)-4-(4-methoxy-3-pyrrolidin-1-yl-phenyl)-1,2-dihydropyrazol-3-one CAS Name: 5-(5-ethyl-2,4-dihydroxyphenyl)-4-[4-methoxy-3-(1-pyrrolidinyl)phenyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-(5-ethyl-2,4-dihydroxyphenyl)-4-(4-methoxy-3-pyrrolidin-1-ylphenyl)-1,2-dihydropyrazol-3-one Traditional Name: 5-(5-ethyl-2,4-dihydroxy-phenyl)-4-(4-methoxy-3-pyrrolidino-phenyl)-3-pyrazolin-3-one Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C2=C(C(=O)NN2)C3=CC(=C(C=C3)OC)N4CCCC4)O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1)C2=C(C(=O)NN2)C3=CC(=C(C=C3)OC)N4CCCC4)O)O

InChI

InChI=1S/C22H25N3O4/c1-3-13-10-15(18(27)12-17(13)26)21-20(22(28)24-23-21)14-6-7-19(29-2)16(11-14)25-8-4-5-9-25/h6-7,10-12,26-27H,3-5,8-9H2,1-2H3,(H2,23,24,28)