1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-[(1-pyridin-3-ylcarbonylpiperidin-4-yl)methyl]phenyl]urea

Systemtic Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-[(1-pyridin-3-ylcarbonylpiperidin-4-yl)methyl]phenyl]urea Openeye Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-[[1-(pyridine-3-carbonyl)-4-piperidyl]methyl]phenyl]urea CAS Name: 1-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-3-[4-[[1-[oxo(3-pyridinyl)methyl]-4-piperidinyl]methyl]phenyl]urea IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]phenyl]urea Traditional Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-[(1-nicotinoyl-4-piperidyl)methyl]phenyl]urea Formula: C33H38N6O2 MolecularWeight: 550.69382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C=C3)CC4CCN(CC4)C(=O)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C=C3)CC4CCN(CC4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C33H38N6O2/c1-23-7-13-28(14-8-23)39-30(21-29(37-39)33(2,3)4)36-32(41)35-27-11-9-24(10-12-27)20-25-15-18-38(19-16-25)31(40)26-6-5-17-34-22-26/h5-14,17,21-22,25H,15-16,18-20H2,1-4H3,(H2,35,36,41)