3-(4-methylquinolin-6-yl)-1-phenyl-1-[1-(4-phenylpiperazin-1-yl)cyclohexyl]urea trihydrochloride

Systemtic Name: 3-(4-methylquinolin-6-yl)-1-phenyl-1-[1-(4-phenylpiperazin-1-yl)cyclohexyl]urea trihydrochloride Openeye Name: 3-(4-methyl-6-quinolyl)-1-phenyl-1-[1-(4-phenylpiperazin-1-yl)cyclohexyl]urea trihydrochloride CAS Name: 3-(4-methyl-6-quinolinyl)-1-phenyl-1-[1-(4-phenyl-1-piperazinyl)cyclohexyl]urea trihydrochloride IUPAC Name: 3-(4-methylquinolin-6-yl)-1-phenyl-1-[1-(4-phenylpiperazin-1-yl)cyclohexyl]urea trihydrochloride Traditional Name: 3-(4-methyl-6-quinolyl)-1-phenyl-1-[1-(4-phenylpiperazino)cyclohexyl]urea trihydrochloride Formula: C33H40Cl3N5O MolecularWeight: 629.0626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=CC2=NC=C1)NC(=O)N(C3=CC=CC=C3)C4(CCCCC4)N5CCN(CC5)C6=CC=CC=C6.Cl.Cl.Cl

Isomeric SMILES

CC1=C2C=C(C=CC2=NC=C1)NC(=O)N(C3=CC=CC=C3)C4(CCCCC4)N5CCN(CC5)C6=CC=CC=C6.Cl.Cl.Cl

InChI

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