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

Systemtic Name: 1-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-3-pyridin-3-yl-urea trihydrochloride Openeye Name: 1-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-3-(3-pyridyl)urea trihydrochloride CAS Name: 1-[3-[4-methyl-1-(4-phenyl-1-piperazinyl)cyclohexyl]phenyl]-3-(3-pyridinyl)urea trihydrochloride IUPAC Name: 1-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-3-pyridin-3-ylurea trihydrochloride Traditional Name: 1-[3-[4-methyl-1-(4-phenylpiperazino)cyclohexyl]phenyl]-3-(3-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=CN=CC=C3)N4CCN(CC4)C5=CC=CC=C5.Cl.Cl.Cl

Isomeric SMILES

CC1CCC(CC1)(C2=CC(=CC=C2)NC(=O)NC3=CN=CC=C3)N4CCN(CC4)C5=CC=CC=C5.Cl.Cl.Cl

InChI

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