1-(4-butylphenyl)-3-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]urea

Systemtic Name: 1-(4-butylphenyl)-3-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]urea Openeye Name: 1-(4-butylphenyl)-3-[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]urea CAS Name: 1-(4-butylphenyl)-3-[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]urea IUPAC Name: 1-(4-butylphenyl)-3-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]urea Traditional Name: 1-(4-butylphenyl)-3-[1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]urea Formula: C21H22ClFN4O MolecularWeight: 400.876983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)NC2=NN(C=C2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)NC2=NN(C=C2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H22ClFN4O/c1-2-3-5-15-8-10-16(11-9-15)24-21(28)25-20-12-13-27(26-20)14-17-18(22)6-4-7-19(17)23/h4,6-13H,2-3,5,14H2,1H3,(H2,24,25,26,28)