1-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-(4-fluorophenyl)urea

Systemtic Name: 1-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-(4-fluorophenyl)urea Openeye Name: 1-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-(4-fluorophenyl)urea CAS Name: 1-[2-(4-tert-butylphenyl)-2-(4-cyclohexyl-1-piperazinyl)ethyl]-3-(4-fluorophenyl)urea IUPAC Name: 1-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-(4-fluorophenyl)urea Traditional Name: 1-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazino)ethyl]-3-(4-fluorophenyl)urea Formula: C29H41FN4O MolecularWeight: 480.660443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CNC(=O)NC2=CC=C(C=C2)F)N3CCN(CC3)C4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(CNC(=O)NC2=CC=C(C=C2)F)N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C29H41FN4O/c1-29(2,3)23-11-9-22(10-12-23)27(21-31-28(35)32-25-15-13-24(30)14-16-25)34-19-17-33(18-20-34)26-7-5-4-6-8-26/h9-16,26-27H,4-8,17-21H2,1-3H3,(H2,31,32,35)