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

Systemtic Name: 4-[(4-bromophenyl)-(2-hexyl-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl)methyl]-2-hexyl-5-methyl-1H-pyrazol-3-one Openeye Name: 4-[(4-bromophenyl)-(2-hexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-hexyl-5-methyl-1H-pyrazol-3-one CAS Name: 4-[(4-bromophenyl)-(2-hexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-hexyl-5-methyl-1H-pyrazol-3-one IUPAC Name: 4-[(4-bromophenyl)-(2-hexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-hexyl-5-methyl-1H-pyrazol-3-one Traditional Name: 4-[(4-bromophenyl)-(1-hexyl-5-keto-3-methyl-3-pyrazolin-4-yl)methyl]-2-hexyl-5-methyl-3-pyrazolin-3-one Formula: C27H39BrN4O2 MolecularWeight: 531.52816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39BrN4O2/c1-5-7-9-11-17-31-26(33)23(19(3)29-31)25(21-13-15-22(28)16-14-21)24-20(4)30-32(27(24)34)18-12-10-8-6-2/h13-16,25,29-30H,5-12,17-18H2,1-4H3