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

Systemtic Name: 2-hexyl-4-[(1-hexyl-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl)-(4-nitrophenyl)methyl]-5-methyl-4H-pyrazol-3-one Openeye Name: 2-hexyl-4-[(1-hexyl-3-methyl-5-oxo-4H-pyrazol-4-yl)-(4-nitrophenyl)methyl]-5-methyl-4H-pyrazol-3-one CAS Name: 2-hexyl-4-[(1-hexyl-3-methyl-5-oxo-4H-pyrazol-4-yl)-(4-nitrophenyl)methyl]-5-methyl-4H-pyrazol-3-one IUPAC Name: 2-hexyl-4-[(1-hexyl-3-methyl-5-oxo-4H-pyrazol-4-yl)-(4-nitrophenyl)methyl]-5-methyl-4H-pyrazol-3-one Traditional Name: 2-hexyl-4-[(1-hexyl-5-keto-3-methyl-2-pyrazolin-4-yl)-(4-nitrophenyl)methyl]-5-methyl-2-pyrazolin-3-one Formula: C27H39N5O4 MolecularWeight: 497.62966

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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)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN1C(=O)C(C(=N1)C)C(C2C(=NN(C2=O)CCCCCC)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H39N5O4/c1-5-7-9-11-17-30-26(33)23(19(3)28-30)25(21-13-15-22(16-14-21)32(35)36)24-20(4)29-31(27(24)34)18-12-10-8-6-2/h13-16,23-25H,5-12,17-18H2,1-4H3