(3S)-1-(4-hexoxyphenyl)-3-(4-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-hexoxyphenyl)-3-(4-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-hexoxyphenyl)-3-(4-methyl-3-oxo-2-phenyl-1H-pyrazol-5-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-hexoxyphenyl)-3-(4-methyl-3-oxo-2-phenyl-1H-pyrazol-5-yl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-hexoxyphenyl)-3-(4-methyl-3-oxo-2-phenyl-1H-pyrazol-5-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-hexoxyphenyl)-3-(5-keto-4-methyl-1-phenyl-3-pyrazolin-3-yl)pyrrolidine-2,5-quinone Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)C3=C(C(=O)N(N3)C4=CC=CC=C4)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)C3=C(C(=O)N(N3)C4=CC=CC=C4)C

InChI

InChI=1S/C26H29N3O4/c1-3-4-5-9-16-33-21-14-12-19(13-15-21)28-23(30)17-22(26(28)32)24-18(2)25(31)29(27-24)20-10-7-6-8-11-20/h6-8,10-15,22,27H,3-5,9,16-17H2,1-2H3/t22-/m0/s1