1-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-3-pyridin-2-yl-urea trihydrochloride

Systemtic Name: 1-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-3-pyridin-2-yl-urea trihydrochloride Openeye Name: 1-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-3-(2-pyridyl)urea trihydrochloride CAS Name: 1-[3-[4-methyl-1-(4-phenyl-1-piperazinyl)cyclohexyl]phenyl]-3-(2-pyridinyl)urea trihydrochloride IUPAC Name: 1-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-3-pyridin-2-ylurea trihydrochloride Traditional Name: 1-[3-[4-methyl-1-(4-phenylpiperazino)cyclohexyl]phenyl]-3-(2-pyridyl)urea trihydrochloride Formula: C29H38Cl3N5O MolecularWeight: 579.00392

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C2=CC(=CC=C2)NC(=O)NC3=CC=CC=N3)N4CCN(CC4)C5=CC=CC=C5.Cl.Cl.Cl

Isomeric SMILES

CC1CCC(CC1)(C2=CC(=CC=C2)NC(=O)NC3=CC=CC=N3)N4CCN(CC4)C5=CC=CC=C5.Cl.Cl.Cl

InChI

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