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

Systemtic Name: 3-(4-methylpyridin-3-yl)-1-phenyl-1-[1-(4-phenylpiperazin-1-yl)cyclohexyl]urea trihydrochloride Openeye Name: 3-(4-methyl-3-pyridyl)-1-phenyl-1-[1-(4-phenylpiperazin-1-yl)cyclohexyl]urea trihydrochloride CAS Name: 3-(4-methyl-3-pyridinyl)-1-phenyl-1-[1-(4-phenyl-1-piperazinyl)cyclohexyl]urea trihydrochloride IUPAC Name: 3-(4-methylpyridin-3-yl)-1-phenyl-1-[1-(4-phenylpiperazin-1-yl)cyclohexyl]urea trihydrochloride Traditional Name: 3-(4-methyl-3-pyridyl)-1-phenyl-1-[1-(4-phenylpiperazino)cyclohexyl]urea trihydrochloride Formula: C29H38Cl3N5O MolecularWeight: 579.00392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NC=C1)NC(=O)N(C2=CC=CC=C2)C3(CCCCC3)N4CCN(CC4)C5=CC=CC=C5.Cl.Cl.Cl

Isomeric SMILES

CC1=C(C=NC=C1)NC(=O)N(C2=CC=CC=C2)C3(CCCCC3)N4CCN(CC4)C5=CC=CC=C5.Cl.Cl.Cl

InChI

InChI=1S/C29H35N5O.3ClH/c1-24-15-18-30-23-27(24)31-28(35)34(26-13-7-3-8-14-26)29(16-9-4-10-17-29)33-21-19-32(20-22-33)25-11-5-2-6-12-25;;;/h2-3,5-8,11-15,18,23H,4,9-10,16-17,19-22H2,1H3,(H,31,35);3*1H