1-[(3-cyanophenyl)methyl]-1-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]urea

Systemtic Name: 1-[(3-cyanophenyl)methyl]-1-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]urea Openeye Name: 1-[(3-cyanophenyl)methyl]-1-(1-isobutyl-5-methyl-pyrazol-4-yl)urea CAS Name: 1-[(3-cyanophenyl)methyl]-1-[5-methyl-1-(2-methylpropyl)-4-pyrazolyl]urea IUPAC Name: 1-[(3-cyanophenyl)methyl]-1-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]urea Traditional Name: 1-(3-cyanobenzyl)-1-(1-isobutyl-5-methyl-pyrazol-4-yl)urea Formula: C17H21N5O MolecularWeight: 311.38154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1CC(C)C)N(CC2=CC=CC(=C2)C#N)C(=O)N

Isomeric SMILES

CC1=C(C=NN1CC(C)C)N(CC2=CC=CC(=C2)C#N)C(=O)N

InChI

InChI=1S/C17H21N5O/c1-12(2)10-22-13(3)16(9-20-22)21(17(19)23)11-15-6-4-5-14(7-15)8-18/h4-7,9,12H,10-11H2,1-3H3,(H2,19,23)