1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[2-(2-oxidanylidene-1-piperidin-4-yl-3-pyridin-4-yl-propyl)phenyl]urea

Systemtic Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[2-(2-oxidanylidene-1-piperidin-4-yl-3-pyridin-4-yl-propyl)phenyl]urea Openeye Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[2-[2-oxo-1-(4-piperidyl)-3-(4-pyridyl)propyl]phenyl]urea CAS Name: 1-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-3-[2-[2-oxo-1-(4-piperidinyl)-3-pyridin-4-ylpropyl]phenyl]urea IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[2-(2-oxo-1-piperidin-4-yl-3-pyridin-4-ylpropyl)phenyl]urea Traditional Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[2-[2-keto-1-(4-piperidyl)-3-(4-pyridyl)propyl]phenyl]urea Formula: C34H40N6O2 MolecularWeight: 564.7204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=CC=C3C(C4CCNCC4)C(=O)CC5=CC=NC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=CC=C3C(C4CCNCC4)C(=O)CC5=CC=NC=C5

InChI

InChI=1S/C34H40N6O2/c1-23-9-11-26(12-10-23)40-31(22-30(39-40)34(2,3)4)38-33(42)37-28-8-6-5-7-27(28)32(25-15-19-36-20-16-25)29(41)21-24-13-17-35-18-14-24/h5-14,17-18,22,25,32,36H,15-16,19-21H2,1-4H3,(H2,37,38,42)