1-methyl-3-phenyl-3-[1-(4-phenylpiperazin-1-yl)cyclohexyl]-1-quinolin-3-yl-urea trihydrochloride

Systemtic Name: 1-methyl-3-phenyl-3-[1-(4-phenylpiperazin-1-yl)cyclohexyl]-1-quinolin-3-yl-urea trihydrochloride Openeye Name: 1-methyl-3-phenyl-3-[1-(4-phenylpiperazin-1-yl)cyclohexyl]-1-(3-quinolyl)urea trihydrochloride CAS Name: 1-methyl-3-phenyl-3-[1-(4-phenyl-1-piperazinyl)cyclohexyl]-1-(3-quinolinyl)urea trihydrochloride IUPAC Name: 1-methyl-3-phenyl-3-[1-(4-phenylpiperazin-1-yl)cyclohexyl]-1-quinolin-3-ylurea trihydrochloride Traditional Name: 1-methyl-3-phenyl-3-[1-(4-phenylpiperazino)cyclohexyl]-1-(3-quinolyl)urea trihydrochloride Formula: C33H40Cl3N5O MolecularWeight: 629.0626

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=CC=CC=C2N=C1)C(=O)N(C3=CC=CC=C3)C4(CCCCC4)N5CCN(CC5)C6=CC=CC=C6.Cl.Cl.Cl

Isomeric SMILES

CN(C1=CC2=CC=CC=C2N=C1)C(=O)N(C3=CC=CC=C3)C4(CCCCC4)N5CCN(CC5)C6=CC=CC=C6.Cl.Cl.Cl

InChI

InChI=1S/C33H37N5O.3ClH/c1-35(30-25-27-13-9-10-18-31(27)34-26-30)32(39)38(29-16-7-3-8-17-29)33(19-11-4-12-20-33)37-23-21-36(22-24-37)28-14-5-2-6-15-28;;;/h2-3,5-10,13-18,25-26H,4,11-12,19-24H2,1H3;3*1H