1-heptyl-3-(5-methyl-2-phenyl-4-propan-2-yloxy-pyrazol-3-yl)urea

Systemtic Name: 1-heptyl-3-(5-methyl-2-phenyl-4-propan-2-yloxy-pyrazol-3-yl)urea Openeye Name: 1-heptyl-3-(4-isopropoxy-5-methyl-2-phenyl-pyrazol-3-yl)urea CAS Name: 1-heptyl-3-(5-methyl-2-phenyl-4-propan-2-yloxy-3-pyrazolyl)urea IUPAC Name: 1-heptyl-3-(5-methyl-2-phenyl-4-propan-2-yloxypyrazol-3-yl)urea Traditional Name: 1-heptyl-3-(4-isopropoxy-5-methyl-2-phenyl-pyrazol-3-yl)urea Formula: C21H32N4O2 MolecularWeight: 372.50438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)NC1=C(C(=NN1C2=CC=CC=C2)C)OC(C)C

Isomeric SMILES

CCCCCCCNC(=O)NC1=C(C(=NN1C2=CC=CC=C2)C)OC(C)C

InChI

InChI=1S/C21H32N4O2/c1-5-6-7-8-12-15-22-21(26)23-20-19(27-16(2)3)17(4)24-25(20)18-13-10-9-11-14-18/h9-11,13-14,16H,5-8,12,15H2,1-4H3,(H2,22,23,26)