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

Systemtic Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[3-(3-cyclopentyl-2-oxidanylidene-1-piperidin-4-yl-propyl)phenyl]urea Openeye Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[3-[3-cyclopentyl-2-oxo-1-(4-piperidyl)propyl]phenyl]urea CAS Name: 1-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-3-[3-[3-cyclopentyl-2-oxo-1-(4-piperidinyl)propyl]phenyl]urea IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[3-(3-cyclopentyl-2-oxo-1-piperidin-4-ylpropyl)phenyl]urea Traditional Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[3-[3-cyclopentyl-2-keto-1-(4-piperidyl)propyl]phenyl]urea Formula: C34H45N5O2 MolecularWeight: 555.7534

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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(=C3)C(C4CCNCC4)C(=O)CC5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=CC(=C3)C(C4CCNCC4)C(=O)CC5CCCC5

InChI

InChI=1S/C34H45N5O2/c1-23-12-14-28(15-13-23)39-31(22-30(38-39)34(2,3)4)37-33(41)36-27-11-7-10-26(21-27)32(25-16-18-35-19-17-25)29(40)20-24-8-5-6-9-24/h7,10-15,21-22,24-25,32,35H,5-6,8-9,16-20H2,1-4H3,(H2,36,37,41)