3-(4-chlorophenyl)-1-(cyclohexylmethyl)-1-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]urea; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-(4-chlorophenyl)-1-(cyclohexylmethyl)-1-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]urea; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-[3-(4-benzyl-1-piperidyl)propyl]-3-(4-chlorophenyl)-1-(cyclohexylmethyl)urea; 2,2,2-trifluoroacetic acid CAS Name: 3-(4-chlorophenyl)-1-(cyclohexylmethyl)-1-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]urea; 2,2,2-trifluoroacetic acid IUPAC Name: 1-[3-(4-benzylpiperidin-1-yl)propyl]-3-(4-chlorophenyl)-1-(cyclohexylmethyl)urea; 2,2,2-trifluoroacetic acid Traditional Name: 1-[3-(4-benzylpiperidino)propyl]-3-(4-chlorophenyl)-1-(cyclohexylmethyl)urea; 2,2,2-trifluoroacetic acid Formula: C31H41ClF3N3O3 MolecularWeight: 596.12375

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN(CCCN2CCC(CC2)CC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Cl.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CCC(CC1)CN(CCCN2CCC(CC2)CC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Cl.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C29H40ClN3O.C2HF3O2/c30-27-12-14-28(15-13-27)31-29(34)33(23-26-10-5-2-6-11-26)19-7-18-32-20-16-25(17-21-32)22-24-8-3-1-4-9-24;3-2(4,5)1(6)7/h1,3-4,8-9,12-15,25-26H,2,5-7,10-11,16-23H2,(H,31,34);(H,6,7)