5-[[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]amino]-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 5-[[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]amino]-2-phenyl-4H-pyrazol-3-one Openeye Name: 5-[4-[4-(1,1-dimethylpropyl)phenoxy]anilino]-2-phenyl-4H-pyrazol-3-one CAS Name: 5-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-phenyl-4H-pyrazol-3-one IUPAC Name: 5-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-phenyl-4H-pyrazol-3-one Traditional Name: 5-[4-(4-tert-amylphenoxy)anilino]-2-phenyl-2-pyrazolin-3-one Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NN(C(=O)C3)C4=CC=CC=C4

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NN(C(=O)C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2/c1-4-26(2,3)19-10-14-22(15-11-19)31-23-16-12-20(13-17-23)27-24-18-25(30)29(28-24)21-8-6-5-7-9-21/h5-17H,4,18H2,1-3H3,(H,27,28)