4-(2-hexyldecanoyl)-5-methyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-(2-hexyldecanoyl)-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-(2-hexyldecanoyl)-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-(2-hexyl-1-oxodecyl)-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-(2-hexyldecanoyl)-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-(2-hexyldecanoyl)-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C26H40N2O2 MolecularWeight: 412.608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)C(=O)C1=C(NN(C1=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCC(CCCCCC)C(=O)C1=C(NN(C1=O)C2=CC=CC=C2)C

InChI

InChI=1S/C26H40N2O2/c1-4-6-8-10-11-14-18-22(17-13-9-7-5-2)25(29)24-21(3)27-28(26(24)30)23-19-15-12-16-20-23/h12,15-16,19-20,22,27H,4-11,13-14,17-18H2,1-3H3