1-[(2S)-butan-2-yl]-3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]urea

Systemtic Name: 1-[(2S)-butan-2-yl]-3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]urea Openeye Name: 1-[3,5-dimethyl-1-(m-tolylmethyl)pyrazol-4-yl]-3-[(1S)-1-methylpropyl]urea CAS Name: 1-[(2S)-butan-2-yl]-3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]-4-pyrazolyl]urea IUPAC Name: 1-[(2S)-butan-2-yl]-3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]urea Traditional Name: 1-[3,5-dimethyl-1-(3-methylbenzyl)pyrazol-4-yl]-3-[(1S)-1-methylpropyl]urea Formula: C18H26N4O MolecularWeight: 314.42524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC1=C(N(N=C1C)CC2=CC=CC(=C2)C)C

Isomeric SMILES

CC[C@H](C)NC(=O)NC1=C(N(N=C1C)CC2=CC=CC(=C2)C)C

InChI

InChI=1S/C18H26N4O/c1-6-13(3)19-18(23)20-17-14(4)21-22(15(17)5)11-16-9-7-8-12(2)10-16/h7-10,13H,6,11H2,1-5H3,(H2,19,20,23)/t13-/m0/s1