2-hexyl-4-[(1-hexyl-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl)-(4-methoxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one

Systemtic Name: 2-hexyl-4-[(1-hexyl-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl)-(4-methoxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one Openeye Name: 2-hexyl-4-[(1-hexyl-3-methyl-5-oxo-4H-pyrazol-4-yl)-(4-methoxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one CAS Name: 2-hexyl-4-[(1-hexyl-3-methyl-5-oxo-4H-pyrazol-4-yl)-(4-methoxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one IUPAC Name: 2-hexyl-4-[(1-hexyl-3-methyl-5-oxo-4H-pyrazol-4-yl)-(4-methoxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one Traditional Name: 2-hexyl-4-[(1-hexyl-5-keto-3-methyl-2-pyrazolin-4-yl)-(4-methoxyphenyl)methyl]-5-methyl-2-pyrazolin-3-one Formula: C28H42N4O3 MolecularWeight: 482.65808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(C(=N1)C)C(C2C(=NN(C2=O)CCCCCC)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCCN1C(=O)C(C(=N1)C)C(C2C(=NN(C2=O)CCCCCC)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C28H42N4O3/c1-6-8-10-12-18-31-27(33)24(20(3)29-31)26(22-14-16-23(35-5)17-15-22)25-21(4)30-32(28(25)34)19-13-11-9-7-2/h14-17,24-26H,6-13,18-19H2,1-5H3