1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-hexyl-urea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-hexyl-urea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-hexyl-urea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-hexylurea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-hexylurea Traditional Name: 1-hexyl-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)urea Formula: C18H26N4O2 MolecularWeight: 330.42464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CCCCCCNC(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C18H26N4O2/c1-4-5-6-10-13-19-18(24)20-16-14(2)21(3)22(17(16)23)15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13H2,1-3H3,(H2,19,20,24)