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

Systemtic Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(3-oxidanylidene-1-piperidin-4-yl-3-pyridin-3-yl-propyl)phenyl]urea Openeye Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-[3-oxo-1-(4-piperidyl)-3-(3-pyridyl)propyl]phenyl]urea CAS Name: 1-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-3-[4-[3-oxo-1-(4-piperidinyl)-3-(3-pyridinyl)propyl]phenyl]urea IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(3-oxo-1-piperidin-4-yl-3-pyridin-3-ylpropyl)phenyl]urea Traditional Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-[3-keto-1-(4-piperidyl)-3-(3-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=C(C=C3)C(CC(=O)C4=CN=CC=C4)C5CCNCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C=C3)C(CC(=O)C4=CN=CC=C4)C5CCNCC5

InChI

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