1-(2-cyano-4-fluoranyl-phenyl)-3-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]urea

Systemtic Name: 1-(2-cyano-4-fluoranyl-phenyl)-3-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]urea Openeye Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(2-cyano-4-fluoro-phenyl)urea CAS Name: 1-(2-cyano-4-fluorophenyl)-3-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]urea IUPAC Name: 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-cyano-4-fluorophenyl)urea Traditional Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(2-cyano-4-fluoro-phenyl)urea Formula: C21H20FN5O MolecularWeight: 377.414803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)NC3=C(C=C(C=C3)F)C#N

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)NC3=C(C=C(C=C3)F)C#N

InChI

InChI=1S/C21H20FN5O/c1-14-19(15(2)27(26-14)13-16-6-4-3-5-7-16)12-24-21(28)25-20-9-8-18(22)10-17(20)11-23/h3-10H,12-13H2,1-2H3,(H2,24,25,28)