1-[phenyl-(3,4,4-trimethyl-5-oxidanylidene-pyrazol-1-yl)methyl]urea

Systemtic Name: 1-[phenyl-(3,4,4-trimethyl-5-oxidanylidene-pyrazol-1-yl)methyl]urea Openeye Name: [phenyl-(3,4,4-trimethyl-5-oxo-pyrazol-1-yl)methyl]urea CAS Name: [phenyl-(3,4,4-trimethyl-5-oxo-1-pyrazolyl)methyl]urea IUPAC Name: [phenyl-(3,4,4-trimethyl-5-oxopyrazol-1-yl)methyl]urea Traditional Name: [(5-keto-3,4,4-trimethyl-2-pyrazolin-1-yl)-phenyl-methyl]urea Formula: C14H18N4O2 MolecularWeight: 274.31832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1(C)C)C(C2=CC=CC=C2)NC(=O)N

Isomeric SMILES

CC1=NN(C(=O)C1(C)C)C(C2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C14H18N4O2/c1-9-14(2,3)12(19)18(17-9)11(16-13(15)20)10-7-5-4-6-8-10/h4-8,11H,1-3H3,(H3,15,16,20)