1-tert-butyl-3-[5-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-2,2-diphenyl-pentyl]urea

Systemtic Name: 1-tert-butyl-3-[5-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-2,2-diphenyl-pentyl]urea Openeye Name: 1-tert-butyl-3-[5-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-2,2-diphenyl-pentyl]urea CAS Name: 1-tert-butyl-3-[5-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-2,2-diphenylpentyl]urea IUPAC Name: 1-tert-butyl-3-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]urea Traditional Name: 1-tert-butyl-3-[5-[4-(4-chlorophenyl)-4-hydroxy-piperidino]-2,2-diphenyl-pentyl]urea Formula: C33H42ClN3O2 MolecularWeight: 548.15848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NCC(CCCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)NC(=O)NCC(CCCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C33H42ClN3O2/c1-31(2,3)36-30(38)35-25-32(26-11-6-4-7-12-26,27-13-8-5-9-14-27)19-10-22-37-23-20-33(39,21-24-37)28-15-17-29(34)18-16-28/h4-9,11-18,39H,10,19-25H2,1-3H3,(H2,35,36,38)