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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C2=CC(=CC=C2)NC(=O)NC3=CC4=C(C=C3)N=CC=C4)N5CCN(CC5)C6=CC=CC=C6.Cl.Cl.Cl

Isomeric SMILES

CC1CCC(CC1)(C2=CC(=CC=C2)NC(=O)NC3=CC4=C(C=C3)N=CC=C4)N5CCN(CC5)C6=CC=CC=C6.Cl.Cl.Cl

InChI

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