1-(4-ethylphenyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]urea

Systemtic Name: 1-(4-ethylphenyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]urea Openeye Name: 1-(4-ethylphenyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]urea CAS Name: 1-(4-ethylphenyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]urea IUPAC Name: 1-(4-ethylphenyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea Traditional Name: 1-(4-ethylphenyl)-3-[1-(2-fluorobenzyl)-3,5-dimethyl-pyrazol-4-yl]urea Formula: C21H23FN4O MolecularWeight: 366.431923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)NC2=C(N(N=C2C)CC3=CC=CC=C3F)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)NC2=C(N(N=C2C)CC3=CC=CC=C3F)C

InChI

InChI=1S/C21H23FN4O/c1-4-16-9-11-18(12-10-16)23-21(27)24-20-14(2)25-26(15(20)3)13-17-7-5-6-8-19(17)22/h5-12H,4,13H2,1-3H3,(H2,23,24,27)