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

Systemtic Name: 1-(4-butylphenyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]urea Openeye Name: 1-(4-butylphenyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]urea CAS Name: 1-(4-butylphenyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]urea IUPAC Name: 1-(4-butylphenyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea Traditional Name: 1-(4-butylphenyl)-3-[1-(2-fluorobenzyl)-3,5-dimethyl-pyrazol-4-yl]urea Formula: C23H27FN4O MolecularWeight: 394.485083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)NC2=C(N(N=C2C)CC3=CC=CC=C3F)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)NC2=C(N(N=C2C)CC3=CC=CC=C3F)C

InChI

InChI=1S/C23H27FN4O/c1-4-5-8-18-11-13-20(14-12-18)25-23(29)26-22-16(2)27-28(17(22)3)15-19-9-6-7-10-21(19)24/h6-7,9-14H,4-5,8,15H2,1-3H3,(H2,25,26,29)