2-[(Z)-(4-tert-butylphenyl)methylideneamino]oxy-1-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-[(Z)-(4-tert-butylphenyl)methylideneamino]oxy-1-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-[(Z)-(4-tert-butylphenyl)methyleneamino]oxy-1-[(3S)-5-(4-chlorophenyl)-3-(2-furyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-[(Z)-(4-tert-butylphenyl)methylideneamino]oxy-1-[(3S)-5-(4-chlorophenyl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-[(Z)-(4-tert-butylphenyl)methylideneamino]oxy-1-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-[(Z)-(4-tert-butylbenzylidene)amino]oxy-1-[(5S)-3-(4-chlorophenyl)-5-(2-furyl)-2-pyrazolin-1-yl]ethanone Formula: C26H26ClN3O3 MolecularWeight: 463.95594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=NOCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=N\OCC(=O)N2[C@@H](CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CO4

InChI

InChI=1S/C26H26ClN3O3/c1-26(2,3)20-10-6-18(7-11-20)16-28-33-17-25(31)30-23(24-5-4-14-32-24)15-22(29-30)19-8-12-21(27)13-9-19/h4-14,16,23H,15,17H2,1-3H3/b28-16-/t23-/m0/s1