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

Systemtic Name: 2-hexyl-4-[(1-hexyl-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl)-phenyl-methyl]-5-methyl-4H-pyrazol-3-one Openeye Name: 2-hexyl-4-[(1-hexyl-3-methyl-5-oxo-4H-pyrazol-4-yl)-phenyl-methyl]-5-methyl-4H-pyrazol-3-one CAS Name: 2-hexyl-4-[(1-hexyl-3-methyl-5-oxo-4H-pyrazol-4-yl)-phenylmethyl]-5-methyl-4H-pyrazol-3-one IUPAC Name: 2-hexyl-4-[(1-hexyl-3-methyl-5-oxo-4H-pyrazol-4-yl)-phenylmethyl]-5-methyl-4H-pyrazol-3-one Traditional Name: 2-hexyl-4-[(1-hexyl-5-keto-3-methyl-2-pyrazolin-4-yl)-phenyl-methyl]-5-methyl-2-pyrazolin-3-one Formula: C27H40N4O2 MolecularWeight: 452.6321

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C27H40N4O2/c1-5-7-9-14-18-30-26(32)23(20(3)28-30)25(22-16-12-11-13-17-22)24-21(4)29-31(27(24)33)19-15-10-8-6-2/h11-13,16-17,23-25H,5-10,14-15,18-19H2,1-4H3