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

Systemtic Name: 4-[furan-2-yl-(2-hexyl-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl)methyl]-2-hexyl-5-methyl-1H-pyrazol-3-one hydrate Openeye Name: 4-[2-furyl-(2-hexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-hexyl-5-methyl-1H-pyrazol-3-one hydrate CAS Name: 4-[2-furanyl-(2-hexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-hexyl-5-methyl-1H-pyrazol-3-one hydrate IUPAC Name: 4-[furan-2-yl-(2-hexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-hexyl-5-methyl-1H-pyrazol-3-one hydrate Traditional Name: 4-[2-furyl-(1-hexyl-5-keto-3-methyl-3-pyrazolin-4-yl)methyl]-2-hexyl-5-methyl-3-pyrazolin-3-one hydrate Formula: C25H40N4O4 MolecularWeight: 460.6095

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=C(N1)C)C(C2=CC=CO2)C3=C(NN(C3=O)CCCCCC)C.O

Isomeric SMILES

CCCCCCN1C(=O)C(=C(N1)C)C(C2=CC=CO2)C3=C(NN(C3=O)CCCCCC)C.O

InChI

InChI=1S/C25H38N4O3.H2O/c1-5-7-9-11-15-28-24(30)21(18(3)26-28)23(20-14-13-17-32-20)22-19(4)27-29(25(22)31)16-12-10-8-6-2;/h13-14,17,23,26-27H,5-12,15-16H2,1-4H3;1H2