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

Systemtic Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[2-(2-oxidanylidene-5-phenyl-1-piperidin-4-yl-pentyl)phenyl]urea Openeye Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[2-[2-oxo-5-phenyl-1-(4-piperidyl)pentyl]phenyl]urea CAS Name: 1-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-3-[2-[2-oxo-5-phenyl-1-(4-piperidinyl)pentyl]phenyl]urea IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[2-(2-oxo-5-phenyl-1-piperidin-4-ylpentyl)phenyl]urea Traditional Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[2-[2-keto-5-phenyl-1-(4-piperidyl)pentyl]phenyl]urea Formula: C37H45N5O2 MolecularWeight: 591.7855

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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)CCCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=CC=C3C(C4CCNCC4)C(=O)CCCC5=CC=CC=C5

InChI

InChI=1S/C37H45N5O2/c1-26-17-19-29(20-18-26)42-34(25-33(41-42)37(2,3)4)40-36(44)39-31-15-9-8-14-30(31)35(28-21-23-38-24-22-28)32(43)16-10-13-27-11-6-5-7-12-27/h5-9,11-12,14-15,17-20,25,28,35,38H,10,13,16,21-24H2,1-4H3,(H2,39,40,44)