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

Systemtic Name: 1-butyl-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]urea Openeye Name: 1-butyl-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]urea CAS Name: 1-butyl-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]urea IUPAC Name: 1-butyl-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea Traditional Name: 1-butyl-3-[1-(2-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]urea Formula: C17H23ClN4O MolecularWeight: 334.84372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=C(N(N=C1C)CC2=CC=CC=C2Cl)C

Isomeric SMILES

CCCCNC(=O)NC1=C(N(N=C1C)CC2=CC=CC=C2Cl)C

InChI

InChI=1S/C17H23ClN4O/c1-4-5-10-19-17(23)20-16-12(2)21-22(13(16)3)11-14-8-6-7-9-15(14)18/h6-9H,4-5,10-11H2,1-3H3,(H2,19,20,23)